SCHEMBL1741867

SCHEMBL1741867

Nc1ncc2ccc(Br)cc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.57
PABPC1 P11940 1/20 0.53
CLK1 P49759 3/20 0.47
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 0.47
DYRK1A Q13627 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
TEK Q02763 5/20 0.43
KDR P35968 3/20 0.43
EPHB4 P54760 3/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CDC7 O00311 1/20 0.41
CDK2 P24941 1/20 0.41
MAP3K14 Q99558 1/20 0.41

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
SCHEMBL30380023 1.00 BACE1 (0.57) BACE1PABPC1CLK1CSNK1DCSNK1E
SCHEMBL46742 0.84 BACE1 (0.55) BACE1PABPC1CLK1CSNK1DCSNK1E
SCHEMBL29699229 0.84 BACE1 (0.55) BACE1PABPC1CLK1CSNK1DCSNK1E
SCHEMBL24150165 0.79 HTT (0.58) CLK1CSNK1DCSNK1EDYRK1AHTT
SCHEMBL557993 0.76 CSNK1D (0.47) BACE1CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL22449721 0.76 CYP1A2 (0.50) BACE1CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL31271736 0.76 BACE1 (0.47) BACE1PABPC1DYRK1ACYP1A2CYP2C19
SCHEMBL4297504 0.76 BACE1 (0.47) BACE1PABPC1CLK1DYRK1ACYP1A2
SCHEMBL25052261 0.76 CLK1 (0.47) CLK1CSNK1DCSNK1EDYRK1AHTT
SCHEMBL1633846 0.76 BACE1 (0.47) BACE1PABPC1DYRK1ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105924385-A Diarylthiourea compound with antitumor activity, and preparation method and application thereof 西安交通大学 2016-09-07 CN claimed
CN-105924403-A Cyclomalonamide compound with antitumor activity, and preparation method and application thereof 西安交通大学 2016-09-07 CN claimed
US-12630529-B2 GCN2 modulator compounds Alesta Therapeutics BV (NL) 2026-05-19 US disclosed
CN-112979615-B Quinazoline urea compound, preparation method thereof, preparation intermediate, pharmaceutical composition and application 上海医药集团股份有限公司 2024-08-09 CN disclosed
US-11958833-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-04-16 US disclosed
US-11926632-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2024-03-12 US disclosed
US-20230406864-A1 7-AZOLE SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-21 US disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
CN-117157297-A PRMT5 inhibitors 上海齐鲁制药研究中心有限公司 2023-12-01 CN disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 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 (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-12630529-B2 GCN2 modulator compounds NR3C1, GCN1, EIF2AK4 BACE1 4366/4885PABPC1 2779/4885CLK1 2881/4885
US-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 BACE1 4000/4885PABPC1 777/4885CLK1 376/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 BACE1 4000/4885PABPC1 777/4885CLK1 376/4885
US-11926632-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS BACE1 4301/4885PABPC1 650/4885CLK1 1366/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 BACE1 2314/4885PABPC1 2995/4885CLK1 1659/4885
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 PHKG1, PDXK, HIPK1 BACE1 4691/4885PABPC1 1313/4885CLK1 86/4885
US-11958833-B2 Compounds USP30, USP20, USP10 BACE1 1219/4885PABPC1 2757/4885CLK1 3882/4885
US-20230406864-A1 7-AZOLE SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 PHKG1, HIPK1, PDXK BACE1 4786/4885PABPC1 1673/4885CLK1 107/4885

“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.