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Sugi Predict / Compounds / SCHEMBL1733336

SCHEMBL1733336

SCHEMBL1733336

O=C(Nc1ccon1)c1cn2cc(-c3ccccn3)ccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ MCHR1 Q99705 1/20 0.48
▸ EGLN1 Q9GZT9 2/20 0.46
▸ GRM5 P41594 1/20 0.45

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
SCHEMBL1732978 0.87 NR4A2 (0.80) NR4A2CYP2C9MCHR1EGLN1GRM5
SCHEMBL1733616 0.84 NR4A2 (0.52) NR4A2CYP2C9EGLN1
SCHEMBL1732974 0.82 NR4A2 (0.47) NR4A2CYP2C9EGLN1
SCHEMBL3770088 0.82 NR4A2 (1.00) NR4A2CYP2C9MCHR1EGLN1
SCHEMBL1734233 0.82 NR4A2 (0.46) NR4A2CYP2C9EGLN1
SCHEMBL1735186 0.81 NR4A2 (1.00) NR4A2CYP2C9MCHR1EGLN1GRM5
SCHEMBL1734186 0.81 NR4A2 (0.70) NR4A2CYP2C9MCHR1EGLN1GRM5
SCHEMBL1732981 0.81 NR4A2 (0.46) NR4A2CYP2C9EGLN1
SCHEMBL1733982 0.81 NR4A2 (0.48) NR4A2CYP2C9EGLN1
SCHEMBL1733186 0.81 ADORA2A (0.51) NR4A2CYP2C9EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 claimed
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 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 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 (1 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-20100317686-A1 N-HETEROCYCLIC-6-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF IDH1, IDH2, XDH NR4A2 1619/4885CYP2C9 323/4885MCHR1 1972/4885

“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.