SCHEMBL4664600

SCHEMBL4664600

COc1ccnc(CCc2nc3cc(-c4ccncc4)cnc3[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.59
NOS1 P29475 9/20 0.59
NOS3 P29474 6/20 0.59
CYP2C9 P11712 1/20 0.51
PDGFRB P09619 4/20 0.47
PDGFRA P16234 4/20 0.47
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FGFR3 P22607 4/20 0.42

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 0.91 NOS2 (0.70) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL5041160 0.90 NOS2 (0.58) NOS2NOS1NOS3CYP2C9PDGFRB
Dimethylamine SCHEMBL5033922 0.89 NOS2 (0.68) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL5036602 0.89 NOS2 (0.57) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL5036512 0.89 NOS2 (0.57) NOS2NOS1NOS3CYP2C9PDGFRB
SCHEMBL5033966 0.89 NOS2 (0.57) NOS2NOS1NOS3CYP2C9MEN1
SCHEMBL5036475 0.89 NOS2 (0.54) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL4662911 0.89 NOS2 (0.58) NOS2NOS1NOS3CYP2C9PDGFRB
SCHEMBL4663083 0.88 NOS2 (0.52) NOS2NOS1NOS3CYP2C9PDGFRB
SCHEMBL5033919 0.88 NOS2 (0.55) NOS2NOS1NOS3CYP2C9PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.