SCHEMBL3936189

SCHEMBL3936189

CN(C)Cc1ccc(NC(=C2C(=O)Nc3cc(C#N)ccc32)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
RAB9A P51151 7/20 0.37
NPC1 O15118 6/20 0.37
KMT2A Q03164 6/20 0.37
ABCC9 O60706 1/20 0.37
CASP3 P42574 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.36
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MITF O75030 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPK1 P28482 1/20 0.36
MCL1 Q07820 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
MEN1 O00255 5/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3936185 1.00 ROCK2 (0.39) ROCK2RAB9ANPC1KMT2AABCC9
SCHEMBL3940299 0.95 ALDH1A1 (0.40) ROCK2RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL3940304 0.95 ALDH1A1 (0.40) ROCK2RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL3932192 0.92 RAB9A (0.40) RAB9ANPC1KMT2AABCC9CASP3
SCHEMBL3932195 0.92 RAB9A (0.40) RAB9ANPC1KMT2AABCC9CASP3
SCHEMBL3940055 0.88 KMT2A (0.44) RAB9ANPC1KMT2ACASP3SENP7
SCHEMBL5858598 0.88 KMT2A (0.44) RAB9ANPC1KMT2ACASP3SENP7
SCHEMBL3932879 0.88 BRD4 (0.39) ROCK2RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3936531 0.88 ROCK2 (0.38) ROCK2ALDH1A1PKM
SCHEMBL3932871 0.88 BRD4 (0.39) ROCK2RAB9ANPC1SMN1; SMN2ALDH1A1

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 ROCK2 1483/4885RAB9A 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.