SCHEMBL4801801

SCHEMBL4801801

Cc1csc(-c2cn(-c3cncnc3)c(-c3ccc(-n4ccc5cccnc54)cc3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
PTGS1 P23219 1/20 0.34
TGFBR1 P36897 2/20 0.34
PTGS2 P35354 3/20 0.32
MKNK2 Q9HBH9 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
CDC7 O00311 1/20 0.32
CDK2 P24941 1/20 0.32
GABRA5 P31644 1/20 0.30
AURKA O14965 1/20 0.30
CDK4 P11802 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
SCHEMBL4869299 0.86 PTGS1 (0.38) PDE10ACYP2A6PTGS1PTGS2MKNK2
SCHEMBL4878104 0.85 PTGS1 (0.34) PTGS1PTGS2MKNK2CDC7CDK2
SCHEMBL4805769 0.83 MAPT (0.39) PDE10ACYP2A6CYP2C9PTGS1TGFBR1
SCHEMBL4875330 0.81 PTGS1 (0.36) CYP2E1CYP3A4CYP2A6PTGS1PTGS2
SCHEMBL4810556 0.80 PTGS1 (0.37) PDE10ACYP2A6PTGS1PTGS2CDC7
SCHEMBL4877001 0.80 CYP2A6 (0.36) CYP2A6PTGS1PTGS2MKNK2CDC7
SCHEMBL4810377 0.79 CYP2A6 (0.40) PDE10ACYP2E1CYP3A4CYP2A6PTGS1
SCHEMBL4804748 0.78 PTGS1 (0.39) PDE10ACYP2A6PTGS1PTGS2MKNK2
SCHEMBL4865738 0.78 PTGS2 (0.35) PTGS1PTGS2CDC7CDK2AURKA
SCHEMBL4808476 0.76 PTGS1 (0.38) PDE10ACYP2C9PTGS1PTGS2CDC7

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 5 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
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO 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 PDE10A 8/4885CYP2E1 384/4885CYP3A4 196/4885

“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.