SCHEMBL2810002

SCHEMBL2810002

O=C(Nc1ccc2cccnc2c1)c1cc2cccnc2n1Cc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR1 P21554 4/20 0.44
CNR2 P34972 3/20 0.44
LMNA P02545 2/20 0.44
ENPP2 Q13822 1/20 0.44
MAOB P27338 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
BAZ1A Q9NRL2 1/20 0.43
AHR P35869 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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 SCHEMBL2811025 0.99 KDM4E (0.50) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3158017 0.89 MAOB (0.47) MEN1KMT2AMAOBEGLN1BAZ1A
SCHEMBL2813966 0.87 NPC1 (0.49) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL2813438 0.86 NPC1 (0.48) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2810493 0.86 MAPT (0.50) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2814670 0.86 RAB9A (0.55) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL2815089 0.85 MAPT (0.49) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2813234 0.84 MAOB (0.52) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3150006 0.81 MAOB (0.49) MEN1KMT2AMAOBMAPT
SCHEMBL2810239 0.81 KDM4E (0.44) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19

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 KDM4E 1484/4885CYP1A2 8/4885CYP3A4 41/4885
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES ZDHHC2, ZYX, GLS2 KDM4E 1925/4885CYP1A2 59/4885CYP3A4 169/4885

“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.