SCHEMBL4664441

SCHEMBL4664441

COc1ccnc(CCc2nc3cc(-c4cc5ccccc5s4)cnc3[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.52
NOS1 P29475 10/20 0.52
NOS3 P29474 7/20 0.52
CYP2C9 P11712 1/20 0.47
FYN P06241 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
FGFR3 P22607 4/20 0.39
FGFR2 P21802 2/20 0.38
PTGDR Q13258 1/20 0.38
GRIN2B Q13224 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
SCHEMBL4664511 0.87 NOS2 (0.58) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL4664599 0.85 NOS2 (0.50) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL5036501 0.84 NOS2 (0.70) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL4663075 0.84 NOS2 (0.52) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL4664361 0.83 NOS2 (0.51) NOS2NOS1NOS3CYP2C9FGFR3
Dimethylamine SCHEMBL5033922 0.82 NOS2 (0.68) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL4664600 0.80 NOS2 (0.59) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL4662911 0.80 NOS2 (0.58) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL4666234 0.80 NOS2 (0.52) NOS2NOS1NOS3CYP2C9CCNT1
SCHEMBL5038129 0.79 NOS2 (0.57) NOS2NOS1NOS3CYP2C9FGFR3

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
EP-1673371-B1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2008-08-06 EP disclosed
US-20080125460-A1 Imidazopyridine-Derivatives As Inducible No-Synthase Inhibitors ALTANA PHARMA AG (DE) 2008-05-29 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-20080125460-A1 Imidazopyridine-Derivatives As Inducible No-Synthase Inhibitors PTGS1, PTGIS, NOS1 NOS2 4/4885NOS1 3/4885NOS3 14/4885

“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.