SCHEMBL3768049

SCHEMBL3768049

O=C(Nc1ccsc1)c1cn2cc(-c3cccc(CO)c3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.53
NR4A2 P43354 2/20 0.53
KCNH2 Q12809 1/20 0.53
EGLN1 Q9GZT9 9/20 0.51
DGAT1 O75907 2/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3368804 0.88 NR4A2 (0.60) CYP2C9NR4A2KCNH2EGLN1DGAT1
SCHEMBL3367641 0.85 EGLN1 (0.62) CYP2C9NR4A2KCNH2EGLN1DGAT1
SCHEMBL3368075 0.85 CYP2C9 (0.53) CYP2C9NR4A2KCNH2EGLN1DGAT1
SCHEMBL3366307 0.85 EGLN1 (0.57) CYP2C9NR4A2KCNH2EGLN1DGAT1
SCHEMBL3367431 0.84 EGLN1 (0.61) CYP2C9NR4A2KCNH2EGLN1DGAT1
SCHEMBL2432828 0.82 CYP2C9 (0.50) CYP2C9NR4A2KCNH2EGLN1DGAT1
SCHEMBL3777416 0.82 NPC1 (0.59) CYP2C9NR4A2KCNH2EGLN1NPC1
SCHEMBL3367665 0.81 NR4A2 (0.56) CYP2C9NR4A2KCNH2EGLN1DGAT1
SCHEMBL3775914 0.80 CYP2C9 (0.51) CYP2C9NR4A2KCNH2EGLN1
SCHEMBL2432921 0.80 GRM4 (0.50) CYP2C9NR4A2KCNH2EGLN1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20100317673-A1 N-HETEROCYCLIC-IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION IDH2, GLS, IDH1 CYP2C9 1454/4885NR4A2 1193/4885KCNH2 337/4885

“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.