SCHEMBL3938170

SCHEMBL3938170

CN(C)CC(=O)N(C)c1ccc(NC(=C2C(=O)Nc3cc(C#N)ccc32)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.40
NPC1 O15118 7/20 0.40
KMT2A Q03164 5/20 0.40
ABCC9 O60706 1/20 0.36
CASP3 P42574 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 4/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MITF O75030 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPK1 P28482 1/20 0.35
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 4/20 0.35
PKM P14618 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
SCHEMBL3938168 1.00 RAB9A (0.40) RAB9ANPC1KMT2AABCC9CASP3
SCHEMBL3939766 0.95 ALDH1A1 (0.40) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL3939763 0.95 ALDH1A1 (0.40) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL3933257 0.93 RAB9A (0.40) RAB9ANPC1KMT2AABCC9CASP3
SCHEMBL3933258 0.93 RAB9A (0.40) RAB9ANPC1KMT2AABCC9CASP3
SCHEMBL5858414 0.89 RAB9A (0.43) RAB9ANPC1KMT2ACASP3SENP7
SCHEMBL3942106 0.89 RAB9A (0.43) RAB9ANPC1KMT2ACASP3SENP7
SCHEMBL3938864 0.89 ALDH1A1 (0.39) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL3938878 0.89 ALDH1A1 (0.39) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL5858063 0.88 CASP3 (0.43) RAB9ANPC1KMT2ACASP3SENP7

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 RAB9A 3709/4885NPC1 4723/4885KMT2A 1839/4885

“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.