SCHEMBL3935699

SCHEMBL3935699

COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(CCN(C)C)C(C)=O)cc1)c1ccc2c(c1)OC=CO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CASP1 P29466 1/20 0.34
ALOX5 P09917 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CASP3 P42574 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
LIMK1 P53667 1/20 0.32
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
RET P07949 1/20 0.32
MET P08581 1/20 0.32
PDGFRB P09619 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
SCHEMBL3935694 1.00 KMT2A (0.34) KMT2ACTDSP1CASP1ALOX5NPC1
SCHEMBL3942900 0.95 CASP1 (0.35) KMT2ACTDSP1CASP1ALOX5NPC1
SCHEMBL3942909 0.95 CASP1 (0.35) KMT2ACTDSP1CASP1ALOX5NPC1
SCHEMBL3941940 0.91 MAPT (0.39) KMT2ANPC1RAB9ACASP3SMN1; SMN2
SCHEMBL3941941 0.91 MAPT (0.39) KMT2ANPC1RAB9ACASP3SMN1; SMN2
SCHEMBL5858467 0.91 BACE1 (0.35) SMN1; SMN2PDGFRBPDGFRAKDRAURKB
SCHEMBL3934951 0.91 BACE1 (0.35) SMN1; SMN2PDGFRBPDGFRAKDRAURKB
SCHEMBL3936512 0.91 LIMK1 (0.34) KMT2ANPC1LIMK1KDRLRRK2
SCHEMBL5857934 0.91 LIMK1 (0.34) KMT2ANPC1LIMK1KDRLRRK2
SCHEMBL3938626 0.89 CASP1 (0.35) KMT2ACTDSP1CASP1ALOX5NPC1

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.