SCHEMBL4878008

SCHEMBL4878008

CN(C)c1ccc(-n2cc(-c3nccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
PTGS1 P23219 1/20 0.34
CRHR1 P34998 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP2A6 P11509 1/20 0.31
AURKA O14965 1/20 0.30
CDK4 P11802 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL4810556 0.90 PTGS1 (0.37) PTGS1CRHR1PDE10ACYP2A6AURKA
SCHEMBL4810377 0.88 CYP2A6 (0.40) MAPTPTGS1PDE10ACYP2A6AURKA
SCHEMBL4869334 0.86 MAPT (0.40) MAPTPTGS1CRHR1PDE10ACYP2A6
SCHEMBL4869299 0.85 PTGS1 (0.38) PTGS1PDE10ACYP2A6AURKACDK4
SCHEMBL4804748 0.85 PTGS1 (0.39) PTGS1PDE10ACYP2A6AURKACDK4
SCHEMBL4873104 0.84 PTGS2 (0.38) PTGS1
SCHEMBL4861340 0.83 CRHR1 (0.39) MAPTPTGS1CRHR1
SCHEMBL4801884 0.83 PTGS1 (0.36) PTGS1PDE10ACYP2A6
SCHEMBL4878073 0.82 PTGS1 (0.34) PTGS1CRHR1PDE10A
SCHEMBL4873661 0.81 PTGS1 (0.35) MAPTPTGS1PDE10A

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 disclosed
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 MAPT 964/4885PTGS1 527/4885CRHR1 2699/4885

“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.