SCHEMBL3932095

SCHEMBL3932095

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(C(=O)N(C)CCN(C)C)cc1)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.39
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PDK1 Q15118 1/20 0.37
NAMPT P43490 3/20 0.37
TGM2 P21980 2/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BACE1 P56817 1/20 0.36
PDPK1 O15530 1/20 0.36
AKT2 P31751 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CDK1 P06493 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK7 P50613 1/20 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
SCHEMBL3932096 1.00 CDK2 (0.39) CDK2CCNE2CCNE1GSK3BALDH1A1
SCHEMBL3932610 0.90 NAMPT (0.41) NAMPTBACE1
SCHEMBL3932609 0.90 NAMPT (0.41) NAMPTBACE1
SCHEMBL3845027 0.90 MCHR1 (0.39) ALDH1A1NAMPTMAPTBACE1NPC1
SCHEMBL3937123 0.88 MAPT (0.36) ALDH1A1TGM2MAPTGFERNPSR1
SCHEMBL3937120 0.88 MAPT (0.36) ALDH1A1TGM2MAPTGFERNPSR1
SCHEMBL3934488 0.88 NPC1 (0.41) ALDH1A1TGM2BACE1PDPK1AKT2
SCHEMBL3934483 0.88 NPC1 (0.41) ALDH1A1TGM2BACE1PDPK1AKT2
SCHEMBL2563992 0.87 HTT (0.39) ALDH1A1TGM2MAPTGFERNPSR1
SCHEMBL2563990 0.87 HTT (0.39) ALDH1A1TGM2MAPTGFERNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP disclosed
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
EP-1551830-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-13 EP disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
WO-2004026829-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 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 (1 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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 CDK2 2/4885CCNE2 34/4885CCNE1 8/4885

“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.