SCHEMBL299834

SCHEMBL299834

[c]1nnc2ccccc2c1-c1cnc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
BCHE P06276 1/20 0.42
KDM4E B2RXH2 4/20 0.42
GPR3 P46089 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK10 P53779 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CYP1A2 P05177 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL4574523 0.79 RAB9A (0.42) NPC1RAB9ASMN1; SMN2KDM4EGPR3
SCHEMBL17048132 0.76 METAP2 (0.41) RAB9ASMN1; SMN2KDM4EGPR3ALDH1A1
SCHEMBL2459241 0.75 NPC1 (0.41) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL317014 0.74 GPR3 (0.41) NPC1RAB9AKDM4EGPR3ALDH1A1
SCHEMBL2065802 0.73 CYP1A2 (0.49) NPC1RAB9ASMN1; SMN2KDM4EGPR3
SCHEMBL1725498 0.72 DHODH (0.40) GPR3
SCHEMBL29942654 0.72 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL29614829 0.72 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL29966674 0.72 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL3076524 0.72 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0382628-B1 Aminoalkoxylphenyl derivatives, process for their preparation and compositions containing them SANOFI ELF (FR) 1994-05-04 EP claimed
EP-0382628-A1 Aminoalkoxylphenyl derivatives, process for their preparation and compositions containing them ELF SANOFI (FR) 1990-08-16 EP claimed
EP-2106401-B1 DERIVATIVES OF PYRROLOPYRIDINE-2-CARBOXAMIDS, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2012-03-14 EP disclosed
US-8044066-B2 Derivatives of pyrrolopyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2011-10-25 US disclosed
US-20090298865-A1 Derivatives of pyrrolopyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-12-03 US disclosed
EP-2106401-A2 DERIVATIVES OF PYRROLOPYRIDINE-2-CARBOXAMIDS, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2009-10-07 EP disclosed
WO-2008107543-A2 DERIVATIVES OF PYRROLOPYRIDINE-2-CARBOXAMIDS, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2008-09-12 WO disclosed
EP-1725526-A2 METHOD FOR PREPARING PYRROLIDINE OXIMES Applied Research Systems ARS Holding N.V. (AN) 2006-11-29 EP disclosed
WO-2005082848-A2 METHOD FOR PREPARING PYRROLIDINE OXIMES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 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-20090298865-A1 Derivatives of pyrrolopyridine-2-carboxamides, preparation thereof and therapeutic application thereof PYCR1, ATP5PD, NQO2 NPC1 2399/4885RAB9A 2865/4885SMN1; SMN2 1523/4885

“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.