SCHEMBL2811907

SCHEMBL2811907

Cn1ccc2cc(NC(=O)c3cc4ccncc4n3Cc3cccc(F)c3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.57
TP53 P04637 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR2B P41595 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR2C P28335 1/20 0.48
ECE1 P42892 4/20 0.44
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
GAA P10253 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL926632 0.89 MAOB (0.51) MAOBTP53MAPTECE1ROCK2
SCHEMBL4655386 0.88 ECE1 (0.51) MAOBECE1ROCK1PTGDR2PPARG
SCHEMBL3579347 0.88 ECE1 (0.51) MAOBECE1PTGDR2F10
SCHEMBL4655292 0.88 MAOB (0.50) MAOBTP53MAPTKDM4EMEN1
SCHEMBL4655390 0.86 MAOB (0.50) MAOBKDM4EECE1PTGDR2PPARG
SCHEMBL4655266 0.86 ECE1 (0.56) MAOBMAPTKDM4EECE1PTGDR2
SCHEMBL4655318 0.86 ECE1 (0.51) MAOBMAPTKDM4EECE1PTGDR2
SCHEMBL2811019 0.85 RAB9A (0.55) MAOBTP53MAPTKDM4ECYP1A2
SCHEMBL2813234 0.85 MAOB (0.52) MAOBTP53MAPTKDM4EMEN1
SCHEMBL4655389 0.85 MAOB (0.47) MAOBTP53ECE1PTGDR2EPHX2

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-1912644-B1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI AVENTIS (FR) 2009-12-16 EP claimed
CN-101247808-B N- (arylalkyl) -1H-pyrrolopyridine-2-carboxamide derivatives and their preparation SANOFI AVENTIS 2014-08-27 CN disclosed
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
CN-101247808-A N- (arylalkyl) -1H-pyrrolopyridine-2-carboxamide derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2008-08-20 CN disclosed
US-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-05-29 US disclosed
EP-1912644-A2 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2008-04-23 EP disclosed
WO-2007010138-A2 N(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-01-25 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 (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 MAOB 193/4885TP53 3733/4885MAPT 4141/4885
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES ZDHHC2, ZYX, GLS2 MAOB 534/4885TP53 2476/4885MAPT 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.