SCHEMBL2813378

SCHEMBL2813378

Cc1nc2cc(NC(=O)c3cc4cc(F)ncc4n3Cc3cccc(F)c3)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TRPV1 Q8NER1 3/20 0.44
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
ECE1 P42892 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACKR3 P25106 1/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL3154715 0.90 MAPT (0.52) MAPTL3MBTL1TRPV1RAB9ANPC1
SCHEMBL2817363 0.86 MAPT (0.50) MAPTL3MBTL1TRPV1RAB9ANPC1
SCHEMBL3154197 0.85 MAPT (0.48) MAPTL3MBTL1TRPV1ECE1ACKR3
SCHEMBL2813387 0.84 RAB9A (0.55) MAPTL3MBTL1RAB9ANPC1ECE1
SCHEMBL2810493 0.84 MAPT (0.50) MAPTL3MBTL1TRPV1RAB9ANPC1
Hydrochloric Acid SCHEMBL2815089 0.84 MAPT (0.49) MAPTL3MBTL1TRPV1RAB9ANPC1
SCHEMBL2814991 0.83 NPC1 (0.49) MAPTL3MBTL1RAB9ANPC1ECE1
SCHEMBL2813406 0.83 MAPT (0.47) MAPTL3MBTL1TRPV1RAB9ANPC1
SCHEMBL1053172 0.81 F10 (0.45) MAPTL3MBTL1ECE1MAOBTP53
SCHEMBL2813382 0.80 ECE1 (0.41) MAPTL3MBTL1ECE1MAOBPTGDR2

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 MAPT 4141/4885L3MBTL1 4735/4885TRPV1 539/4885
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES ZDHHC2, ZYX, GLS2 MAPT 3538/4885L3MBTL1 3677/4885TRPV1 549/4885

“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.