SCHEMBL20162216

SCHEMBL20162216

Nc1cc(Br)ccc1Nc1ccnc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
MAPK10 P53779 1/20 0.38
ROCK1 Q13464 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SYK P43405 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
HTT P42858 1/20 0.36
HDAC3 O15379 5/20 0.35
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35

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
SCHEMBL30011457 1.00 EGFR (0.43) EGFRMAPK10ROCK1HTR3EHTR3B
SCHEMBL30010939 0.85 ROCK1 (0.46) MAPK10ROCK1HTR3EHTR3BHTR3A
SCHEMBL20162211 0.85 ROCK1 (0.46) MAPK10ROCK1HTR3EHTR3BHTR3A
SCHEMBL18387056 0.82 AURKA (0.44) MAPK10ROCK1HTR3EHTR3BHTR3A
SCHEMBL18386919 0.82 APP (0.40) MAPK10ROCK1HTR3EHTR3BHTR3A
SCHEMBL17683162 0.79 ROCK1 (0.47) EGFRROCK1PIK3CAPIK3CBPIK3CG
SCHEMBL30459783 0.79 ROCK1 (0.47) EGFRROCK1PIK3CAPIK3CBPIK3CG
SCHEMBL18387036 0.78 MAPK10 (0.57) EGFRMAPK10ROCK1HTR3EHTR3B
SCHEMBL11971017 0.75 SYK (0.39) EGFRROCK1SYKPIK3CAPIK3CB
SCHEMBL5263722 0.74 PIK3CA (0.48) ROCK1SYKPIK3CAPIK3CBPIK3CG

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323817-B1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-10-19 EP disclosed
US-10329277-B2 N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(3-methyl-2-OXO-2,3-dihydro-1h-benzo[d]imidazol-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide hydrochloride as an inhibitor of epidermal growth factor receptor activity CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-06-25 US disclosed
US-10329277-B2 N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(3-methyl-2-OXO-2,3-dihydro-1h-benzo[d]imidazol-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide hydrochloride as an inhibitor of epidermal growth factor receptor activity CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-06-25 US disclosed
US-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-26 US disclosed
US-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-26 US disclosed
US-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-26 US disclosed
EP-3323817-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2018-05-23 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 (2 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-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF EGFR, ERBB2, ERBB3 EGFR 1/4885MAPK10 451/4885ROCK1 2625/4885
US-10329277-B2 N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(3-methyl-2-OXO-2,3-dihydro-1h-benzo[d]imidazol-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide hydrochloride as an inhibitor of epidermal growth factor receptor activity EGFR, ERBB2, ERBB3 EGFR 1/4885MAPK10 456/4885ROCK1 3885/4885

“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.