SCHEMBL4869299

SCHEMBL4869299

c1cnc2c(c1)ccn2-c1ccc(-c2nc(-c3nccs3)cn2-c2cncnc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.38
CYP2A6 P11509 1/20 0.34
MKNK2 Q9HBH9 2/20 0.33
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
PDE10A Q9Y233 1/20 0.32
PTGS2 P35354 2/20 0.32
RAB9A P51151 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
AURKA O14965 1/20 0.31
CDK4 P11802 1/20 0.31

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
SCHEMBL4810377 0.93 CYP2A6 (0.40) PTGS1CYP2A6MKNK2CDC7CDK2
SCHEMBL4804748 0.92 PTGS1 (0.39) PTGS1CYP2A6MKNK2CDC7CDK2
SCHEMBL4810556 0.89 PTGS1 (0.37) PTGS1CYP2A6CDC7CDK2PDE10A
SCHEMBL4801884 0.88 PTGS1 (0.36) PTGS1CYP2A6CDC7CDK2PDE10A
SCHEMBL4861340 0.86 CRHR1 (0.39) PTGS1PTGS2RAB9A
SCHEMBL4801801 0.86 PDE10A (0.39) PTGS1CYP2A6MKNK2CDC7CDK2
SCHEMBL4873661 0.86 PTGS1 (0.35) PTGS1CDC7CDK2PDE10ARAB9A
SCHEMBL4878073 0.85 PTGS1 (0.34) PTGS1CDC7CDK2PDE10APTGS2
SCHEMBL4878008 0.85 MAPT (0.34) PTGS1CYP2A6PDE10AAURKACDK4
SCHEMBL4873104 0.85 PTGS2 (0.38) PTGS1PTGS2

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 PTGS1 527/4885CYP2A6 157/4885MKNK2 3187/4885

“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.