SCHEMBL3932871

SCHEMBL3932871

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(C#N)ccc32)c2ccc3c(c2)CCO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
ROCK2 O75116 1/20 0.38
ATM Q13315 1/20 0.37
RAB9A P51151 3/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
FPR2 P25090 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
ACACB O00763 1/20 0.33
MAOB P27338 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
MAPK14 Q16539 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 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
SCHEMBL3932879 1.00 BRD4 (0.39) BRD4ROCK2ATMRAB9APOLB
SCHEMBL3936537 0.94 ROCK2 (0.38) BRD4ROCK2ATMPOLBFPR2
SCHEMBL3936531 0.94 ROCK2 (0.38) BRD4ROCK2ATMPOLBFPR2
SCHEMBL3940299 0.91 ALDH1A1 (0.40) ROCK2RAB9APOLBNPC1ALDH1A1
SCHEMBL3940304 0.91 ALDH1A1 (0.40) ROCK2RAB9APOLBNPC1ALDH1A1
SCHEMBL5859976 0.88 BRD4 (0.40) BRD4ATMRAB9APOLBNPC1
SCHEMBL5859332 0.88 BRD4 (0.40) BRD4ATMRAB9APOLBNPC1
SCHEMBL3936185 0.88 ROCK2 (0.39) ROCK2RAB9ANPC1ALDH1A1PKM
SCHEMBL3944797 0.88 BRD4 (0.40) BRD4ATMRAB9APOLBNPC1
SCHEMBL3932231 0.88 BRD4 (0.40) BRD4ATMRAB9APOLBNPC1

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 3 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
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

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 885/4885ROCK2 1483/4885ATM 678/4885

“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.