SCHEMBL3334777

SCHEMBL3334777

Nc1cccc(-c2nc(Cl)ncc2Cl)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BTK Q06187 1/20 0.36
▸ MAPK1 P28482 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ SCN4A P35499 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34

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
SCHEMBL29190539 0.84 ALDH1A1 (0.36) RPS6KA5ALDH1A1KDM4ELMNAGLA
SCHEMBL29190621 0.79 KDM4E (0.36) ALDH1A1KDM4ELMNAGLAHPGD
SCHEMBL20162224 0.75 NR4A2 (0.39) ALDH1A1KDM4ELMNAGLAHPGD
SCHEMBL16061045 0.74 ALDH1A1 (0.43) RPS6KA5ALDH1A1KDM4ELMNAGLA
SCHEMBL30891600 0.72 RPS6KA5 (0.47) RPS6KA5ALDH1A1KDM4EGLAHPGD
SCHEMBL25551811 0.72 RPS6KA5 (0.47) RPS6KA5PIN1ADORA2AADORA1
SCHEMBL30036735 0.72 RPS6KA5 (0.47) RPS6KA5PIN1ADORA2AADORA1
SCHEMBL30936977 0.72 RPS6KA5 (0.36) RPS6KA5ALDH1A1KDM4ELMNAHPGD
SCHEMBL16513320 0.71 RPS6KA5 (0.43) RPS6KA5ALDH1A1KDM4ELMNAGLA
SCHEMBL20162223 0.71 RPS6KA5 (0.35) RPS6KA5ALDH1A1KDM4ELMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036715-A 2, 4-Diarylaminopyrimidine derivative containing benzodithioryl, and pharmaceutical composition and application thereof 盐城工业职业技术学院 2026-05-15 — — CN disclosed
EP-4382514-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2024-06-12 — — EP disclosed
CN-118139847-A Pyrimidine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2024-06-04 — — CN disclosed
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 — — CN disclosed
WO-2022139386-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 주식회사 비투에스바이오 2022-06-30 — — WO 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
EP-3323817-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2018-05-23 — — EP disclosed
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 — — US disclosed
CN-101563327-A Pyrimidine kinase inhibitors GENENTECH INC (US) 2009-10-21 — — CN disclosed
EP-2099771-A1 PYRIMIDINE KINASE INHIBITORS Genentech, Inc. (US) 2009-09-16 — — EP disclosed
US-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 — — US disclosed
EP-1968950-A1 PYRIMIDINE KINASE INHIBITORS Genentech, Inc. (US) 2008-09-17 — — EP disclosed
WO-2008079719-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2008-07-03 — — WO disclosed
WO-2007120339-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2007-10-25 — — WO 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 (4 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-20080318989-A1 Pyrimidine Kinase Inhibitors DCK, DTYMK, TK1 RPS6KA5 189/4885ALDH1A1 2990/4885KDM4E 903/4885
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS DTYMK, DCK, TYMP RPS6KA5 149/4885ALDH1A1 3289/4885KDM4E 687/4885
US-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF EGFR, ERBB2, ERBB3 RPS6KA5 620/4885ALDH1A1 1216/4885KDM4E 4245/4885
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 RPS6KA5 409/4885ALDH1A1 1263/4885KDM4E 3524/4885

“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.

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