SCHEMBL4865738

SCHEMBL4865738

Cc1ccc(-n2cc(-c3ncc(C)s3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.35
PTGS1 P23219 2/20 0.34
CDC7 O00311 1/20 0.32
CDK2 P24941 1/20 0.32
DGAT1 O75907 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AURKA O14965 1/20 0.31
CDK4 P11802 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
KCNH2 Q12809 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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 0.86 PTGS1 (0.37) PTGS2PTGS1CDC7CDK2DGAT1
SCHEMBL4808476 0.85 PTGS1 (0.38) PTGS2PTGS1CDC7CDK2DGAT1
SCHEMBL4876991 0.83 PTGS2 (0.35) PTGS2PTGS1CDC7CDK2DGAT1
SCHEMBL4878990 0.81 PDE10A (0.48)
SCHEMBL4874935 0.80 PDE4B (0.35) PTGS2
SCHEMBL4877035 0.80 NPC1 (0.45) PTGS2AURKA
SCHEMBL4878104 0.80 PTGS1 (0.34) PTGS2PTGS1CDC7CDK2AURKA
SCHEMBL4874440 0.78 PTGS2 (0.34) PTGS2PTGS1CDC7CDK2DGAT1
SCHEMBL4810377 0.78 CYP2A6 (0.40) PTGS2PTGS1CDC7CDK2AURKA
SCHEMBL4801801 0.78 PDE10A (0.39) PTGS2PTGS1CDC7CDK2AURKA

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 4 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
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 PTGS2 854/4885PTGS1 527/4885CDC7 1474/4885

“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.