SCHEMBL1733301

SCHEMBL1733301

O=C(O)c1cn2cc(-c3cc[nH]n3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP2C9 P11712 1/20 0.44
NR4A2 P43354 1/20 0.44
EGLN1 Q9GZT9 8/20 0.42
ALDH1A1 P00352 2/20 0.39
ALDH1A3 P47895 2/20 0.39
ALDH1A2 O94788 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
SCHEMBL3764591 0.83 KDM4E (0.55) EGLN1ALDH1A1
SCHEMBL3775541 0.83 NR4A2 (0.69) CYP2C9NR4A2EGLN1
SCHEMBL2829516 0.82 NR4A2 (0.50) CYP2C9NR4A2EGLN1
SCHEMBL1733303 0.81 ALDH1A1 (0.38) CYP2C9NR4A2EGLN1ALDH1A1ALDH1A3
SCHEMBL1733643 0.80 PTGS1 (0.46) PTGS1PTGS2CYP2C9NR4A2EGLN1
SCHEMBL3773370 0.78 NR4A2 (0.51) CYP2C9NR4A2EGLN1
SCHEMBL1734587 0.78 NR4A2 (0.51) CYP2C9NR4A2EGLN1
SCHEMBL3775806 0.78 NR4A2 (0.51) CYP2C9NR4A2EGLN1
SCHEMBL1733801 0.78 MAP3K5 (0.53) PTGS1PTGS2CYP2C9NR4A2EGLN1
SCHEMBL1733965 0.77 NR4A2 (0.63) CYP2C9NR4A2EGLN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691990-B2 6-heterocyclic imidazo[1,2-α]pyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-04-08 US claimed
EP-2225240-B1 Derivatives of 6-heterocyclic-imidazo[1,2-a]pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2014-01-22 EP claimed
US-20130041152-A1 6-HETEROCYCLIC IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF PEYRONEL JEAN-FRANCOIS (FR) 2013-02-14 US claimed
EP-2225243-B1 Derivatives of N-heterocyclic-6-heterocyclic-imidazo[1,2-a]pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2011-11-16 EP claimed
US-20100317675-A1 6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 US claimed
US-20100317686-A1 N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 US claimed
US-8691990-B2 6-heterocyclic imidazo[1,2-α]pyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-04-08 US disclosed
EP-2225240-B1 Derivatives of 6-heterocyclic-imidazo[1,2-a]pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2014-01-22 EP disclosed
US-20130041152-A1 6-HETEROCYCLIC IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF PEYRONEL JEAN-FRANCOIS (FR) 2013-02-14 US disclosed
US-8314109-B2 6-heterocyclic-imidazo[1,2-α]pyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2012-11-20 US disclosed
EP-2225243-B1 Derivatives of N-heterocyclic-6-heterocyclic-imidazo[1,2-a]pyridine-2-carboxamides, preparation thereof and therapeutic application thereof SANOFI SA (FR) 2011-11-16 EP disclosed
US-20100317686-A1 N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 US disclosed
US-20100317675-A1 6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 US disclosed
EP-2225243-A2 DERIVATIVES OF N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZOÝL,2- A¨PYRIDINE-2-CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-09-08 EP disclosed
WO-2009106751-A2 DERIVATIVES OF N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZO[L,2- A]PYRIDINE-2-CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-03 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 (3 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-20130041152-A1 6-HETEROCYCLIC IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF XDH, REN, IDH2 PTGS1 1703/4885PTGS2 1984/4885CYP2C9 209/4885
US-20100317675-A1 6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF REN, IDH2, GLS PTGS1 1247/4885PTGS2 1416/4885CYP2C9 231/4885
US-20100317686-A1 N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF IDH1, IDH2, XDH PTGS1 1761/4885PTGS2 2071/4885CYP2C9 323/4885

“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.