SCHEMBL3937370

SCHEMBL3937370

CN(C)CCN(C)C(=O)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc3nccnc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
MAPT P10636 4/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
NAMPT P43490 4/20 0.35
FLT3 P36888 1/20 0.35
NPC1 O15118 3/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 3/20 0.35
CDK1 P06493 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CDK5 Q00535 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 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
SCHEMBL5859630 1.00 BACE1 (0.36) BACE1MAPTRAB9ASMN1; SMN2GAA
SCHEMBL5858403 0.90 HRH4 (0.39) MAPTRAB9ASMN1; SMN2GAANAMPT
SCHEMBL5857140 0.90 MAPT (0.39) MAPTRAB9ASMN1; SMN2GAANAMPT
SCHEMBL5857136 0.90 MAPT (0.39) MAPTRAB9ASMN1; SMN2GAANAMPT
SCHEMBL3936042 0.90 HRH4 (0.39) MAPTRAB9ASMN1; SMN2GAANAMPT
SCHEMBL3932382 0.88 BACE1 (0.35) BACE1MAPTRAB9ASMN1; SMN2GAA
SCHEMBL5857828 0.88 BACE1 (0.35) BACE1MAPTRAB9ASMN1; SMN2GAA
SCHEMBL3941809 0.86 RAB9A (0.38) BACE1MAPTRAB9ASMN1; SMN2GAA
SCHEMBL5856762 0.86 RAB9A (0.38) BACE1MAPTRAB9ASMN1; SMN2GAA
SCHEMBL3938163 0.86 MAPT (0.36) BACE1MAPTRAB9ASMN1; SMN2GAA

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 3 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
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

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 1424/4885MAPT 1798/4885RAB9A 3709/4885

“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.