SCHEMBL9565762

SCHEMBL9565762

CC(C)(Cc1ccccc1Br)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.51
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
SLC22A12 Q96S37 3/20 0.40
ALOX5AP P20292 1/20 0.40
POLB P06746 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29836734 1.00 RIPK1 (0.51) RIPK1LMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL15983796 0.86 LMNA (0.49) RIPK1LMNAKDM4EL3MBTL1SLC22A12
SCHEMBL16393647 0.85 RIPK1 (0.47) RIPK1LMNAKDM4EALDH1A1CTSS
SCHEMBL19182690 0.83 GABRA1 (0.48) RIPK1LMNAKDM4EL3MBTL1SLC22A12
SCHEMBL24140655 0.80 RIPK1 (0.47) RIPK1ALDH1A1CTSSCTSKPOLB
SCHEMBL1114878 0.79 AKR1B1 (0.53) LMNAKDM4EL3MBTL1POLBTAAR1
SCHEMBL4458475 0.79 KDM4E (0.51) LMNAKDM4EL3MBTL1ALDH1A1POLB
SCHEMBL3093272 0.79 RIPK1 (0.49) RIPK1LMNAKDM4EALDH1A1CTSS
SCHEMBL12802659 0.78 RIPK1 (0.49) RIPK1ALDH1A1POLBHPGDKMT2A
SCHEMBL22175384 0.78 RIPK1 (0.43) RIPK1LMNAKDM4EALDH1A1CTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12059422-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2024-08-13 US disclosed
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. 2022-10-13 US disclosed
CN-114891034-A TML type trigger molecule and preparation method and application thereof 闽都创新实验室 2022-08-12 CN disclosed
US-11400097-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2022-08-02 US disclosed
CN-107501241-B Compounds, pharmaceutical compositions containing them and their use in the treatment of proliferative diseases 梅制药公司 2020-10-13 CN disclosed
US-20200316080-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. 2020-10-08 US disclosed
US-10603324-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2020-03-31 US disclosed
US-10335415-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2019-07-02 US disclosed
US-20190083506-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS, INC. 2019-03-21 US disclosed
US-10208021-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
WO-2014059202-A1 GUANIDINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-17 WO disclosed
WO-2014059214-A1 GUANIDINE AND AMINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-17 WO disclosed
WO-2014059214-A1 GUANIDINE AND AMINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-17 WO disclosed
EP-2691384-A1 (ALPHA- SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5 -TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THESE COMPOUNDS FOR USE IN TREATING PROLIFERATIVE DISEASES MEI Pharma, Inc. (US) 2014-02-05 EP disclosed
WO-2013056060-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-18 WO disclosed
WO-2013056034-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-18 WO disclosed
WO-2013056034-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-18 WO disclosed
WO-2012135160-A1 (ALPHA- SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5 -TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THESE COMPOUNDS FOR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS INC. (US) 2012-10-04 WO disclosed
US-20120252802-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS INC. (US) 2012-10-04 US disclosed
EP-0544287-A1 Gem-dialkyl-7-oxabicycloheptyl substituted heterocyclic amide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E.R. SQUIBB & SONS, INC. (US) 1993-06-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200316080-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 RIPK1 4411/4885LMNA 414/4885KDM4E 3448/4885
US-12059422-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 RIPK1 4411/4885LMNA 414/4885KDM4E 3448/4885
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 RIPK1 4411/4885LMNA 414/4885KDM4E 3448/4885
US-20120252802-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 RIPK1 4411/4885LMNA 414/4885KDM4E 3448/4885
US-10208021-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors TFPI, TFPI2, KLKB1 RIPK1 1883/4885LMNA 1643/4885KDM4E 492/4885
US-10335415-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 RIPK1 4411/4885LMNA 414/4885KDM4E 3448/4885
US-10603324-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 RIPK1 4411/4885LMNA 414/4885KDM4E 3448/4885
US-20190083506-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 RIPK1 4411/4885LMNA 414/4885KDM4E 3448/4885
US-11400097-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 RIPK1 4411/4885LMNA 414/4885KDM4E 3448/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.