SCHEMBL4875388

SCHEMBL4875388

N#Cc1cccc2c1ccn2-c1ccc(-c2nc(-c3ccccn3)cn2-c2cccnc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.39
GRIA3 P42263 1/20 0.39
PDE4D Q08499 1/20 0.39
SCN9A Q15858 2/20 0.38
PTGS2 P35354 1/20 0.37
MAPT P10636 1/20 0.36
GRM5 P41594 6/20 0.36
CYP19A1 P11511 2/20 0.35
HTT P42858 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL4875319 0.85 MAPT (0.38) PTGS2MAPTGRM5CYP19A1TGFBR1
SCHEMBL4875437 0.83 MAPT (0.47) PTGS2MAPTGRM5CYP19A1TGFBR1
SCHEMBL4877197 0.78 MAPT (0.45) PTGS2MAPTGRM5HTT
SCHEMBL4859211 0.77 MAPT (0.42) PTGS2MAPTGRM5
SCHEMBL4869156 0.77 MAPT (0.36) PTGS2MAPTGRM5
SCHEMBL4812854 0.76 MAPT (0.58) MAPTHTT
SCHEMBL4808663 0.75 CYP2A6 (0.54) PTGS2MAPTGRM5CYP19A1HTT
SCHEMBL4878767 0.75 MAPT (0.54) PTGS2MAPTGRM5CYP19A1TGFBR1
SCHEMBL4810083 0.75 MAPT (0.39) PTGS2MAPTGRM5
SCHEMBL4806012 0.75 TGFBR1 (0.44) PTGS2MAPTGRM5CYP19A1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US claimed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 GRIA1 1448/4885GRIA3 1052/4885PDE4D 23/4885

“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.