SCHEMBL989338

SCHEMBL989338

N#Cc1cccc(Cl)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAP2K1 Q02750 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
TSHR P16473 2/20 0.38
TRPV4 Q9HBA0 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
SCHEMBL2423501 0.83 TSHR (0.46) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL31081959 0.79 TSHR (0.39) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL27895311 0.76 DYRK1A (0.47) DYRK1AALDH1A1KDM4EMEN1GAA
SCHEMBL1161369 0.76 CYP3A4 (0.50) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL31172444 0.76 CYP3A4 (0.50) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL101977 0.76 DYRK1A (0.47) DYRK1AALDH1A1KDM4EMEN1GAA
SCHEMBL29517818 0.75
Water SCHEMBL27523013 0.75 TSHR (0.50) DYRK1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL73332 0.75
SCHEMBL30539289 0.74 KDM4E (0.53) DYRK1AALDH1A1KDM4EMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US claimed
US-20100125139-A1 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF BANKSTON DONALD 2010-05-20 US claimed
US-20060142313-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2006-06-29 US claimed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP claimed
EP-1542992-A2 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF Bayer Corporation (US) 2005-06-22 EP claimed
WO-2004029045-A2 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 WO claimed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 EP claimed
US-20030220357-A1 Process for preparing quinazoline Rho-kinase inhibitiors and intermediates thereof BAYER HEALTHCARE LLC 2003-11-27 US claimed
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease BAYER CORPORATION 2003-07-03 US claimed
WO-2002076976-A2 RHO-KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-03 WO claimed
EP-4642767-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS Acrivon Therapeutics, Inc. (US) 2025-11-05 EP disclosed
US-20250171447-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF MERCK SHARP & DOHME LLC (US) 2025-05-29 US disclosed
US-12297209-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2025-05-13 US disclosed
US-12268694-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2025-04-08 US disclosed
WO-2025056017-A1 FUSED BICYCLIC HETEROARYLS AS PARG INHIBITORS AND USES THEREOF ZAI LAB (SHANGHAI) CO., LTD. (CN) 2025-03-20 WO disclosed
CN-1205693-A Quinoline and quinazoline compounds useful in therapy PFIZER RES & DEV (IE) 1999-01-20 CN disclosed
EP-0090972-B1 INDAZOLE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1990-05-30 EP disclosed
US-4751302-A ANTIINFLAMMATORY, ANTIULCER AGENTS, ANALGESICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-06-14 US disclosed
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 US disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 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 (8 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-20060142313-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 DYRK1A 698/4885ALDH1A1 3561/4885KDM4E 1157/4885
US-20250171447-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF ADORA2A, ADORA2B, ADORA1 DYRK1A 607/4885ALDH1A1 483/4885KDM4E 3489/4885
US-20030220357-A1 Process for preparing quinazoline Rho-kinase inhibitiors and intermediates thereof ROCK1, ROCK2, RHOT2 DYRK1A 644/4885ALDH1A1 3717/4885KDM4E 1158/4885
US-12297209-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 DYRK1A 4410/4885ALDH1A1 621/4885KDM4E 1198/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A DYRK1A 172/4885ALDH1A1 3152/4885KDM4E 960/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 DYRK1A 698/4885ALDH1A1 3561/4885KDM4E 1157/4885
US-12268694-B2 Combination pharmaceutical agents as RSV inhibitors ACE, ACE2, SPCS3 DYRK1A 3707/4885ALDH1A1 4172/4885KDM4E 4059/4885
US-20100125139-A1 PROCESS FOR PREPARING QUINAZOLINE RHO-KINASE INHIBITORS AND INTERMEDIATES THEREOF ROCK1, ROCK2, CIT DYRK1A 567/4885ALDH1A1 4305/4885KDM4E 1542/4885

“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.