SCHEMBL3933018

SCHEMBL3933018

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN(C)C)c(F)c1)c1ccsc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.34
KMT2A Q03164 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CASP1 P29466 1/20 0.33
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BACE1 P56817 1/20 0.31
AURKB Q96GD4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL5856917 1.00 MAPK14 (0.34) MAPK14KMT2ACTDSP1CASP1TP53
SCHEMBL3939582 0.89 MAPK14 (0.31) MAPK14POLB
SCHEMBL5856749 0.89 MAPK14 (0.31) MAPK14POLB
SCHEMBL480857 0.89 KMT2A (0.36) MAPK14KMT2ACTDSP1CASP1TP53
SCHEMBL3682429 0.89 KMT2A (0.36) MAPK14KMT2ACTDSP1CASP1TP53
SCHEMBL3940748 0.88 AAK1 (0.36) MAPK14KMT2ACTDSP1CASP1TP53
SCHEMBL3940750 0.88 AAK1 (0.36) MAPK14KMT2ACTDSP1CASP1TP53
SCHEMBL5858303 0.88 MAPK14 (0.39) MAPK14KMT2ACTDSP1CASP1TP53
SCHEMBL3934452 0.88 MAPK14 (0.39) MAPK14KMT2ACTDSP1CASP1TP53
SCHEMBL3944171 0.86 MAPT (0.35) KMT2ACTDSP1CASP1TP53POLB

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 MAPK14 563/4885KMT2A 1839/4885CTDSP1 673/4885

“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.