SCHEMBL4610682

SCHEMBL4610682

CC(C)(Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
SLC13A5 Q86YT5 1/20 0.50
CYP2A6 P11509 1/20 0.48
SLC22A12 Q96S37 2/20 0.47
PPARA Q07869 1/20 0.46
FFAR1 O14842 1/20 0.46
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
ALOX5AP P20292 1/20 0.45
CASR P41180 2/20 0.44
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL20067118 0.86 CYP1A2 (0.50) CYP1A2SLC13A5CYP2A6MMP1MMP9
SCHEMBL8939501 0.83 CYP1A2 (0.62) CYP1A2SLC13A5CYP2A6MMP1MMP9
SCHEMBL29982408 0.83 CYP1A2 (0.62) CYP1A2SLC13A5CYP2A6MMP1MMP9
SCHEMBL8872531 0.82 CYP1A2 (0.53) CYP1A2SLC13A5CYP2A6FFAR1PDPK1
SCHEMBL12802204 0.80 CYP1A2 (0.46) CYP1A2CYP2A6PPARAMMP1MMP9
SCHEMBL20347157 0.80 SLC13A5 (0.45) CYP1A2SLC13A5CYP2A6PPARAMMP1
SCHEMBL14740848 0.80 CYP1A2 (0.45) CYP1A2SLC22A12PPARASLC6A2
SCHEMBL16595187 0.79 CYP1A2 (0.50) CYP1A2SLC13A5CYP2A6FFAR1PDPK1
SCHEMBL517462 0.79 SMN1; SMN2 (0.57) CYP1A2PPARACYP2D6SLC6A2
SCHEMBL16005357 0.79 CYP1A2 (0.46) CYP1A2SLC13A5CYP2A6PPARAMMP1

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 26 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
CN-115698292-A Aptamers binding to thiamine analogs and derivatives 梅里特斯英国第二有限公司 2023-02-03 CN 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
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-10064868-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) 2018-09-04 US 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
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
EP-1308436-B1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-6916956-B2 Calcium receptor antagonist JAPAN TOBACCO, INC. (JP) 2005-07-12 US disclosed
US-20050107448-A1 Calcium receptor antagonists JAPAN TABACCO INC. 2005-05-19 US disclosed
US-20040006130-A1 Calcium receptor antagonist JAPAN TOBACCO INC (JP) 2004-01-08 US disclosed
EP-1308436-A1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC. (JP) 2003-05-07 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 (11 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 CYP1A2 224/4885SLC13A5 2790/4885CYP2A6 962/4885
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 CYP1A2 224/4885SLC13A5 2790/4885CYP2A6 962/4885
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 CYP1A2 224/4885SLC13A5 2790/4885CYP2A6 962/4885
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 CYP1A2 224/4885SLC13A5 2790/4885CYP2A6 962/4885
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 CYP1A2 224/4885SLC13A5 2790/4885CYP2A6 962/4885
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 CYP1A2 224/4885SLC13A5 2790/4885CYP2A6 962/4885
US-20050107448-A1 Calcium receptor antagonists CASR, CALCR, CALCRL CYP1A2 1943/4885SLC13A5 735/4885CYP2A6 236/4885
US-10064868-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 CYP1A2 224/4885SLC13A5 2790/4885CYP2A6 962/4885
US-20040006130-A1 Calcium receptor antagonist CALCRL, CASR, CALCR CYP1A2 2060/4885SLC13A5 905/4885CYP2A6 159/4885
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 CYP1A2 224/4885SLC13A5 2790/4885CYP2A6 962/4885
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 CYP1A2 224/4885SLC13A5 2790/4885CYP2A6 962/4885

“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.