SCHEMBL3941809

SCHEMBL3941809

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc3nccnc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
NPC1 O15118 3/20 0.38
BACE1 P56817 2/20 0.37
HTT P42858 3/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CTNNB1 P35222 2/20 0.35
TCF7L2 Q9NQB0 2/20 0.35
TP53 P04637 1/20 0.35
SLC2A1 P11166 1/20 0.34
PIK3CA P42336 2/20 0.34
DYRK1A Q13627 1/20 0.34
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5856762 1.00 RAB9A (0.38) RAB9ANPC1BACE1HTTMAPT
SCHEMBL5856864 0.91 MAPT (0.37) RAB9ANPC1BACE1HTTMAPT
SCHEMBL3935002 0.91 MAPT (0.37) RAB9ANPC1BACE1HTTMAPT
SCHEMBL5857141 0.89 MAPT (0.40) RAB9ANPC1BACE1HTTMAPT
SCHEMBL5857145 0.89 MAPT (0.40) RAB9ANPC1BACE1HTTMAPT
SCHEMBL5857154 0.87 MAPT (0.37) RAB9ANPC1BACE1HTTMAPT
SCHEMBL3936210 0.87 MAPT (0.37) RAB9ANPC1BACE1HTTMAPT
SCHEMBL3937370 0.86 BACE1 (0.36) RAB9ANPC1BACE1HTTMAPT
SCHEMBL5859630 0.86 BACE1 (0.36) RAB9ANPC1BACE1HTTMAPT
SCHEMBL3932867 0.86 MAPT (0.37) RAB9ANPC1BACE1HTTMAPT

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 4723/4885BACE1 1424/4885

“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.