SCHEMBL3937653

SCHEMBL3937653

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CN(C)C)cc1)c1ccc2c(c1)OCC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
MAPT P10636 2/20 0.35
ROCK2 O75116 2/20 0.35
BRD4 O60885 1/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
CASP3 P42574 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CASP1 P29466 1/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 2/20 0.33
CRBN Q96SW2 1/20 0.33
POLB P06746 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 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
SCHEMBL3937658 1.00 KCNH2 (0.40) KCNH2MAPTROCK2BRD4KMT2A
SCHEMBL3943335 0.94 BRD4 (0.40) KCNH2MAPTROCK2BRD4KMT2A
SCHEMBL3943341 0.94 BRD4 (0.40) KCNH2MAPTROCK2BRD4KMT2A
SCHEMBL3933786 0.91 MEN1 (0.43) MAPTKMT2ANPC1RAB9ACASP3
SCHEMBL3933791 0.91 MEN1 (0.43) MAPTKMT2ANPC1RAB9ACASP3
SCHEMBL5859741 0.89 LSS (0.37) KCNH2ROCK2BRD4PRMT5WDR77
SCHEMBL5857149 0.89 BRD4 (0.35) KCNH2MAPTROCK2BRD4NPC1
SCHEMBL3937825 0.89 LSS (0.37) KCNH2ROCK2BRD4PRMT5WDR77
SCHEMBL3944009 0.89 BRD4 (0.35) KCNH2MAPTROCK2BRD4NPC1
SCHEMBL3942797 0.88 RAB9A (0.48) MAPTKMT2ANPC1RAB9ACASP3

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 KCNH2 3484/4885MAPT 1798/4885ROCK2 1483/4885

“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.