SCHEMBL3640937

SCHEMBL3640937

COc1ccccc1CC(C)(C)N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
TAAR1 Q96RJ0 2/20 0.55
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
AOC3 Q16853 1/20 0.49
CHRM2 P08172 2/20 0.48
CHRM1 P11229 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC6A2 P23975 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA7 P43166 2/20 0.46
CA4 P22748 1/20 0.46
RIPK1 Q13546 1/20 0.46
SIGMAR1 Q99720 1/20 0.44

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
Hydrochloric Acid SCHEMBL9350050 0.86 IDO1 (0.56) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL74595 0.83 RIPK1 (0.63) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL23069150 0.82 IDO1 (0.53) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL10442267 0.81 TAAR1 (0.61) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL27962082 0.81 TAAR1 (0.56) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL10725568 0.80 IDO1 (0.50) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL20428030 0.80 IDO1 (0.50) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL17750072 0.80 IDO1 (0.50) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL2951310 0.80 IDO1 (0.50) IDO1TAAR1ALDH1A1GAAMAPT
SCHEMBL808941 0.80 IDO1 (0.50) IDO1TAAR1ALDH1A1GAAMAPT

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 25 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
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
CN-108617166-A Protein Kinase Inhibitor Benzolactam Compounds 大冢制药株式会社 2018-10-02 CN 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
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-6022894-A Method of using calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed
EP-0004835-B1 ETHANOLAMINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR MEDICINAL USE Aktiebolaget DRACO (SE) 1981-10-14 EP disclosed
EP-0004835-A1 Ethanolamine compounds, processes for their preparation, pharmaceutical preparations containing them and their medicinal use Aktiebolaget DRACO (SE) 1979-10-17 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 (10 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 IDO1 3948/4885TAAR1 1640/4885ALDH1A1 245/4885
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 IDO1 1496/4885TAAR1 3590/4885ALDH1A1 208/4885
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 IDO1 1496/4885TAAR1 3590/4885ALDH1A1 208/4885
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 IDO1 1496/4885TAAR1 3590/4885ALDH1A1 208/4885
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 IDO1 1496/4885TAAR1 3590/4885ALDH1A1 208/4885
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 IDO1 1496/4885TAAR1 3590/4885ALDH1A1 208/4885
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 IDO1 1496/4885TAAR1 3590/4885ALDH1A1 208/4885
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 IDO1 1496/4885TAAR1 3590/4885ALDH1A1 208/4885
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 IDO1 1496/4885TAAR1 3590/4885ALDH1A1 208/4885
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 IDO1 1496/4885TAAR1 3590/4885ALDH1A1 208/4885

“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.