SCHEMBL3773352

SCHEMBL3773352

CN(C)c1ccc2nc(C(=O)Nc3cc(C#N)ccn3)cn2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.43
APP P05067 1/20 0.43
NR4A2 P43354 2/20 0.40
CYP2C9 P11712 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.38
USP30 Q70CQ3 1/20 0.38
RORC P51449 2/20 0.38
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37

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
SCHEMBL3774161 0.87 SORT1 (0.49) NPC1RAB9A
SCHEMBL3778748 0.86 EGLN1 (0.42) GRM5APPNR4A2CYP2C9
SCHEMBL2435122 0.83 GRM4 (0.52) APPNR4A2CYP2C9NPC1RAB9A
SCHEMBL3771452 0.82 BRAF (0.47) GRM5NR4A2
SCHEMBL2434789 0.81 SIRT2 (0.48) APPSIRT2USP30BACE1BACE2
SCHEMBL3777392 0.81 NR4A2 (0.55) GRM5NR4A2CYP2C9NPC1RAB9A
SCHEMBL2436703 0.79 APP (0.42) APPNPC1RAB9ABACE1BACE2
SCHEMBL3774757 0.77 NR4A2 (0.51) GRM5NR4A2CYP2C9USP30
SCHEMBL3780549 0.77 NR4A2 (0.42) NR4A2CYP2C9NPC1ALOX15RAB9A
SCHEMBL3773122 0.77 SMN1; SMN2 (0.42) APPNR4A2CYP2C9NPC1RAB9A

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 GRM5 955/4885APP 4168/4885NR4A2 1193/4885

“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.