SCHEMBL3933134

SCHEMBL3933134

CN(C)CCN(C)C(=O)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc3c(c2)OC=CO3)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
NAMPT P43490 3/20 0.35
PIK3CA P42336 5/20 0.35
MTOR P42345 5/20 0.35
PIK3CG P48736 4/20 0.35
PIK3CB P42338 2/20 0.34
ROCK2 O75116 1/20 0.34
PIK3CD O00329 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
RAB9A P51151 1/20 0.32
TGM2 P21980 1/20 0.32
FLT3 P36888 2/20 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
SCHEMBL5856825 1.00 BACE1 (0.36) BACE1NAMPTPIK3CAMTORPIK3CG
SCHEMBL3933124 0.90 PIK3CA (0.35) NAMPTPIK3CAMTORPIK3CGPIK3CB
SCHEMBL3933118 0.90 PIK3CA (0.35) NAMPTPIK3CAMTORPIK3CGPIK3CB
SCHEMBL3931660 0.90 PIK3CA (0.35) PIK3CAMTORPIK3CGROCK2
SCHEMBL5857325 0.90 PIK3CA (0.35) PIK3CAMTORPIK3CGROCK2
SCHEMBL5858209 0.89 CASP3 (0.43) NAMPTRAB9A
SCHEMBL3935882 0.89 CASP3 (0.43) NAMPTRAB9A
SCHEMBL5858467 0.89 BACE1 (0.35) BACE1TGM2FLT3
SCHEMBL3934951 0.89 BACE1 (0.35) BACE1TGM2FLT3
SCHEMBL5856908 0.87 BACE1 (0.35) BACE1TGM2FLT3

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 BACE1 1424/4885NAMPT 1870/4885PIK3CA 261/4885

“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.