SCHEMBL4664381

SCHEMBL4664381

COc1ccnc(CCc2nc3cc(-c4ccoc4)cnc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.53
NOS1 P29475 9/20 0.53
NOS3 P29474 6/20 0.53
CYP2C9 P11712 4/20 0.48
USP2 O75604 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
ALOX15 P16050 1/20 0.39
FGFR3 P22607 4/20 0.39
TSHR P16473 1/20 0.38
FYN P06241 1/20 0.38
CCNT1 O60563 1/20 0.37
CCNA2 P20248 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
SCHEMBL5036501 0.86 NOS2 (0.70) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL4664600 0.86 NOS2 (0.59) NOS2NOS1NOS3CYP2C9CYP1A2
SCHEMBL5041160 0.85 NOS2 (0.58) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL5036602 0.84 NOS2 (0.57) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL5033966 0.84 NOS2 (0.57) NOS2NOS1NOS3CYP2C9MEN1
Dimethylamine SCHEMBL5033922 0.84 NOS2 (0.68) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL5036512 0.84 NOS2 (0.57) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL5036430 0.84 NOS2 (0.53) NOS2NOS1NOS3CYP2C9
SCHEMBL4662911 0.84 NOS2 (0.58) NOS2NOS1NOS3CYP2C9USP2
SCHEMBL5033919 0.83 NOS2 (0.55) NOS2NOS1NOS3CYP2C9USP2

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.