SCHEMBL3940055

SCHEMBL3940055

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(Br)ccc32)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
MEN1 O00255 5/20 0.44
CASP3 P42574 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
MAPT P10636 3/20 0.44
HSP90AA1 P07900 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MITF O75030 1/20 0.44
MAPK1 P28482 1/20 0.44
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
USP2 O75604 1/20 0.41
F2 P00734 1/20 0.41
P2RX4 Q99571 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.38
MAOB P27338 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL5858598 1.00 KMT2A (0.44) KMT2ARAB9ANPC1MEN1CASP3
SCHEMBL5856986 0.91 RAB9A (0.43) KMT2ARAB9ANPC1MEN1CASP3
SCHEMBL3935269 0.91 RAB9A (0.43) KMT2ARAB9ANPC1MEN1CASP3
SCHEMBL3933113 0.90 RAB9A (0.44) KMT2ARAB9ANPC1MEN1CASP3
SCHEMBL3933105 0.90 RAB9A (0.44) KMT2ARAB9ANPC1MEN1CASP3
SCHEMBL3933024 0.90 CASP3 (0.44) KMT2ARAB9ANPC1MEN1CASP3
SCHEMBL5856869 0.90 CASP3 (0.44) KMT2ARAB9ANPC1MEN1CASP3
SCHEMBL3942797 0.90 RAB9A (0.48) KMT2ARAB9ANPC1MEN1CASP3
SCHEMBL3942795 0.90 RAB9A (0.48) KMT2ARAB9ANPC1MEN1CASP3
SCHEMBL3936185 0.88 ROCK2 (0.39) KMT2ARAB9ANPC1MEN1CASP3

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 1839/4885RAB9A 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.