SCHEMBL3944246

SCHEMBL3944246

COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(C(=O)N(C)CCN(C)C)cc1)c1ccc2cnncc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
CASP1 P29466 1/20 0.36
PIK3CA P42336 5/20 0.35
MTOR P42345 5/20 0.35
PIK3CG P48736 4/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CDK1 P06493 1/20 0.35
CDK7 P50613 1/20 0.35
CDK5 Q00535 1/20 0.35
ATR Q13535 2/20 0.35
ROCK2 O75116 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
AURKA O14965 1/20 0.33
RAF1 P04049 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL3944243 1.00 KMT2A (0.37) KMT2ACTDSP1CASP1PIK3CAMTOR
SCHEMBL3933468 0.88 KMT2A (0.35) KMT2ACTDSP1CASP1CDK5MAPT
SCHEMBL3933472 0.88 KMT2A (0.35) KMT2ACTDSP1CASP1CDK5MAPT
SCHEMBL3932610 0.87 NAMPT (0.41) KMT2ACTDSP1CASP1PIK3CAMTOR
SCHEMBL3932609 0.87 NAMPT (0.41) KMT2ACTDSP1CASP1PIK3CAMTOR
SCHEMBL3940355 0.87 KMT2A (0.38) KMT2ACTDSP1CASP1ROCK2MAPT
SCHEMBL3940367 0.87 KMT2A (0.38) KMT2ACTDSP1CASP1ROCK2MAPT
SCHEMBL3845027 0.87 MCHR1 (0.39) KMT2ACTDSP1CASP1PIK3CAMTOR
SCHEMBL3942977 0.87 POLB (0.40) KMT2ACTDSP1CASP1MAPTALDH1A1
SCHEMBL3942973 0.87 POLB (0.40) KMT2ACTDSP1CASP1MAPTALDH1A1

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 KMT2A 1839/4885CTDSP1 673/4885CASP1 1119/4885

“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.