SCHEMBL3943335

SCHEMBL3943335

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CN(C)C)cc1)c1ccc2c(c1)CCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
POLB P06746 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
CXCR3 P49682 1/20 0.36
GSK3B P49841 1/20 0.36
KCNH2 Q12809 1/20 0.35
MAPT P10636 1/20 0.35
ROCK2 O75116 3/20 0.35
ATM Q13315 1/20 0.35
ROCK1 Q13464 1/20 0.35
P2RX3 P56373 1/20 0.35
KMT2A Q03164 2/20 0.34
CASP3 P42574 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
MEN1 O00255 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL3943341 1.00 BRD4 (0.40) BRD4RAB9ANPC1POLBTAS1R3
SCHEMBL3937653 0.94 KCNH2 (0.40) BRD4RAB9ANPC1POLBKCNH2
SCHEMBL3937658 0.94 KCNH2 (0.40) BRD4RAB9ANPC1POLBKCNH2
SCHEMBL3933791 0.91 MEN1 (0.43) RAB9ANPC1POLBMAPTKMT2A
SCHEMBL3933786 0.91 MEN1 (0.43) RAB9ANPC1POLBMAPTKMT2A
SCHEMBL3944797 0.89 BRD4 (0.40) BRD4RAB9ANPC1POLBTAS1R3
SCHEMBL5859976 0.89 BRD4 (0.40) BRD4RAB9ANPC1POLBTAS1R3
SCHEMBL3932231 0.89 BRD4 (0.40) BRD4RAB9ANPC1POLBTAS1R3
SCHEMBL5859332 0.89 BRD4 (0.40) BRD4RAB9ANPC1POLBTAS1R3
SCHEMBL3942795 0.88 RAB9A (0.48) RAB9ANPC1MAPTKMT2ACASP3

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 BRD4 885/4885RAB9A 3709/4885NPC1 4723/4885

“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.