SCHEMBL2811019

SCHEMBL2811019

Cc1nc2cc(NC(=O)c3cc4ccncc4n3Cc3cccc(F)c3)ccc2n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.55
NPC1 O15118 11/20 0.55
MAPT P10636 6/20 0.55
ATM Q13315 1/20 0.55
MAOB P27338 1/20 0.49
NAMPT P43490 1/20 0.47
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ECE1 P42892 1/20 0.42
TSHR P16473 2/20 0.42
ROCK2 O75116 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41

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
Hydrochloric Acid SCHEMBL2812507 0.99 RAB9A (0.55) RAB9ANPC1MAPTATMMAOB
SCHEMBL2815154 0.93 RAB9A (0.55) RAB9ANPC1MAPTATMMAOB
SCHEMBL3153127 0.89 RAB9A (0.60) RAB9ANPC1MAPTATMLMNA
SCHEMBL2813387 0.88 RAB9A (0.55) RAB9ANPC1MAPTATMMAOB
SCHEMBL2815836 0.87 RAB9A (0.54) RAB9ANPC1MAPTATMMAOB
SCHEMBL2815133 0.86 RAB9A (0.56) RAB9ANPC1MAPTATMMAOB
SCHEMBL2811907 0.85 MAOB (0.57) MAPTMAOBCYP1A2CYP2C19KDM4E
SCHEMBL2814670 0.85 RAB9A (0.55) RAB9ANPC1MAPTATMMAOB
SCHEMBL2812095 0.85 RAB9A (0.55) RAB9ANPC1MAPTATMMAOB
SCHEMBL2814195 0.85 RAB9A (0.51) RAB9ANPC1MAPTATMMAOB

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 RAB9A 1589/4885NPC1 127/4885MAPT 4141/4885
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES ZDHHC2, ZYX, GLS2 RAB9A 1911/4885NPC1 265/4885MAPT 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.