SCHEMBL589522

SCHEMBL589522

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(I)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 4/20 0.73
EPHB2 P29323 1/20 0.71
LDLR P01130 2/20 0.70
KIT P10721 2/20 0.70
PCSK9 Q8NBP7 2/20 0.70
ABL1 P00519 8/20 0.67
BCR P11274 7/20 0.67
MAP4K2 Q12851 2/20 0.64
MAP3K7 O43318 1/20 0.63
RAF1 P04049 1/20 0.63
HCK P08631 1/20 0.62
NR2C2 P49116 1/20 0.62
BTK Q06187 1/20 0.62
PDGFRB P09619 1/20 0.62

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
SCHEMBL29493483 1.00 NR2E1 (0.73) NR2E1EPHB2LDLRKITPCSK9
SCHEMBL13659898 0.91 NR2E1 (0.77) NR2E1EPHB2LDLRKITPCSK9
SCHEMBL15442255 0.90 NR2E1 (0.71) NR2E1EPHB2LDLRKITPCSK9
SCHEMBL27143130 0.89 NR2E1 (0.71) NR2E1EPHB2LDLRKITPCSK9
SCHEMBL24532047 0.88 NR2E1 (0.73) NR2E1EPHB2LDLRKITPCSK9
SCHEMBL4254144 0.88 NR2E1 (0.73) NR2E1EPHB2LDLRKITPCSK9
SCHEMBL21612152 0.88 CSF1R (0.71) NR2E1EPHB2LDLRKITPCSK9
SCHEMBL3433139 0.88 NR2E1 (0.60) NR2E1EPHB2LDLRKITPCSK9
SCHEMBL22529506 0.88 EPHB2 (0.55) NR2E1EPHB2LDLRKITPCSK9
SCHEMBL22065195 0.87 EPHB2 (0.75) NR2E1EPHB2LDLRKITPCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICALS USA INC (US) 2025-11-27 US disclosed
US-20240199626-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-06-20 US disclosed
EP-3795571-B1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX INC (CN) 2024-05-08 EP disclosed
EP-4326269-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS Oregon Health & Science University (US) 2024-02-28 EP disclosed
US-11840535-B2 Alkynyl(hetero)aromatic compound for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2023-12-12 US disclosed
US-20230227447-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-07-20 US disclosed
US-20230227447-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-07-20 US disclosed
US-20230227447-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-07-20 US disclosed
CN-115697485-A Benzylamine derivatives as DDR inhibitors 奇斯药制品公司 2023-02-03 CN disclosed
WO-2022225972-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-10-27 WO disclosed
WO-2012000304-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF 中国科学院广州生物医药与健康研究院 (CN) 2012-01-05 WO disclosed
US-8071609-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20090156596-A1 Unsaturated Heterocyclic Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-2023933-A2 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2009-02-18 EP disclosed
WO-2007133560-A9 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2008-11-13 WO disclosed
EP-1940843-A2 UNSATURATED HETEROCYCLIC DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2008-07-09 EP disclosed
WO-2007133560-A2 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-11-22 WO disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 US disclosed
WO-2007021937-A2 UNSATURATED HETEROCYCLIC DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2007-02-22 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 (7 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-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA NR2E1 1890/4885EPHB2 3153/4885LDLR 925/4885
US-20090156596-A1 Unsaturated Heterocyclic Derivatives CYP2F1, CYP2J2, ALOX5 NR2E1 1246/4885EPHB2 1795/4885LDLR 2571/4885
US-20230227447-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS DDR2, DDR1, DDRGK1 NR2E1 134/4885EPHB2 1745/4885LDLR 469/4885
US-20240199626-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS SMN1; SMN2, MCL1, NLN NR2E1 1203/4885EPHB2 3171/4885LDLR 616/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 NR2E1 1806/4885EPHB2 2196/4885LDLR 2338/4885
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 NR2E1 2434/4885EPHB2 3120/4885LDLR 4080/4885
US-11840535-B2 Alkynyl(hetero)aromatic compound for inhibiting protein kinase activity ALK, BRAF, DSTYK NR2E1 2156/4885EPHB2 3739/4885LDLR 2895/4885

“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.