SCHEMBL3935264

SCHEMBL3935264

CN(C)CC(=O)N(C)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3nccnc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.37
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 8/20 0.36
KMT2A Q03164 4/20 0.36
TP53 P04637 1/20 0.34
POLB P06746 3/20 0.33
MEN1 O00255 3/20 0.33
PLK1 P53350 3/20 0.33
AHR P35869 1/20 0.32
LRRK2 Q5S007 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 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
SCHEMBL5859785 1.00 RAB9A (0.37) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL3934011 0.92 RAB9A (0.36) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL5858208 0.92 RAB9A (0.36) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL5858115 0.91 NPC1 (0.40) RAB9AMAPTGAANPC1KMT2A
SCHEMBL3933106 0.91 NPC1 (0.40) RAB9AMAPTGAANPC1KMT2A
SCHEMBL5859706 0.91 GPR55 (0.36) RAB9ANPC1KMT2APOLBMEN1
SCHEMBL3933830 0.91 GPR55 (0.36) RAB9ANPC1KMT2APOLBMEN1
SCHEMBL5856888 0.90 MAPT (0.37) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL3932867 0.90 MAPT (0.37) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL5858317 0.90 MAPT (0.39) RAB9AMAPTSMN1; SMN2GAANPC1

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 3709/4885MAPT 1798/4885SMN1; SMN2 4299/4885

“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.