SCHEMBL2436690

SCHEMBL2436690

CN(C)c1ccc2nc(C(=O)O)cn2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
APP P05067 15/20 0.50
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EGLN1 Q9GZT9 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL4246721 0.83 RAB9A (0.53) PTGS1PTGS2APPALDH1A1EGLN1
SCHEMBL2638074 0.81 PTGS1 (0.59) PTGS1PTGS2APPKDM4EALDH1A1
SCHEMBL2086625 0.80 KDM4E (0.63) APPKDM4EALDH1A1NPC1POLB
SCHEMBL3365520 0.80 NPC1 (0.65) KDM4EALDH1A1EGLN1NPC1POLB
SCHEMBL23534418 0.80 PTGS1 (0.50) PTGS1PTGS2KDM4EALDH1A1EGLN1
Bromide SCHEMBL3774680 0.79 KDM4E (0.61) APPKDM4EALDH1A1NPC1POLB
SCHEMBL2439696 0.78 APP (0.46) APPKDM4EALDH1A1NPC1
SCHEMBL28626437 0.77 PTGS1 (0.59) PTGS1PTGS2APPKDM4EALDH1A1
SCHEMBL870792 0.77 PTGS1 (0.59) PTGS1PTGS2APPEGLN1NPC1
SCHEMBL9753842 0.77 PTGS1 (0.59) PTGS1PTGS2KDM4EALDH1A1EGLN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225241-B1 Derivatives of N-phenyl-imidazo-(1,2-A)-pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2011-09-14 EP claimed
US-20100317685-A1 N-PHENYL-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-12-16 US claimed
US-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-12-16 US claimed
EP-2225241-B1 Derivatives of N-phenyl-imidazo-(1,2-A)-pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2011-09-14 EP disclosed
US-20100317685-A1 N-PHENYL-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-12-16 US disclosed
US-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-12-16 US disclosed
EP-2041133-B1 DERIVATIVES OF IMIDAZO [1,2-A]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-13 EP disclosed
EP-2040703-B1 DERIVATIVES OF 2-BENZOYL-IMIDAZOPYRIDINES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2009-10-21 EP 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-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION IDH2, GLS, IDH1 PTGS1 1451/4885PTGS2 1340/4885APP 4168/4885
US-20100317685-A1 N-PHENYL-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION ARG2, IDH2, GLS PTGS1 1428/4885PTGS2 959/4885APP 3477/4885

“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.