SCHEMBL2811761

SCHEMBL2811761

Cc1nc2cc(NC(=O)c3cc4cccnc4n3-c3ccccc3)ccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.53
RAB9A P51151 13/20 0.53
MAPT P10636 9/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 2/20 0.52
NAMPT P43490 1/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.48
ECE1 P42892 1/20 0.46

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
SCHEMBL297607 0.80 RAB9A (0.51) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL2814670 0.77 RAB9A (0.55) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL924944 0.77 RAB9A (0.55) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL924866 0.76 NAMPT (0.55) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL924865 0.75 RAB9A (0.55) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL297721 0.74 LMNA (0.48) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL297279 0.73 MAPT (0.49) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL14484167 0.73 RAB9A (0.74) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL925877 0.71 RAB9A (0.52) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL3879676 0.71 GRM4 (0.64) NPC1RAB9AMAPT

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-1912644-B1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI AVENTIS (FR) 2009-12-16 EP claimed
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-7763636-B2 N-(arylalkyl)-1H-pyrrolopyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-27 US disclosed
EP-1912644-B1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI AVENTIS (FR) 2009-12-16 EP disclosed
US-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-05-29 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 (2 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-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CYP3A5, ZYX, ZDHHC2 NPC1 127/4885RAB9A 1589/4885MAPT 4141/4885
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES ZDHHC2, ZYX, GLS2 NPC1 265/4885RAB9A 1911/4885MAPT 3538/4885

“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.