SCHEMBL4804748

SCHEMBL4804748

c1cnc2c(c1)ccn2-c1ccc(-c2nc(-c3nccs3)cn2-c2ccncc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
CDC7 O00311 1/20 0.34
CDK2 P24941 1/20 0.34
PTGS2 P35354 2/20 0.33
RAB9A P51151 1/20 0.33
MAPK10 P53779 2/20 0.33
MAPK9 P45984 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
METAP1 P53582 1/20 0.32
PDE10A Q9Y233 4/20 0.32
PDPK1 O15530 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL4810377 0.93 CYP2A6 (0.40) PTGS1CDC7CDK2PTGS2RAB9A
SCHEMBL4869299 0.92 PTGS1 (0.38) PTGS1CDC7CDK2PTGS2RAB9A
SCHEMBL4801884 0.90 PTGS1 (0.36) PTGS1CDC7CDK2PTGS2RAB9A
SCHEMBL4810556 0.89 PTGS1 (0.37) PTGS1CDC7CDK2PTGS2RAB9A
SCHEMBL4861340 0.88 CRHR1 (0.39) PTGS1PTGS2RAB9A
SCHEMBL4873661 0.88 PTGS1 (0.35) PTGS1CDC7CDK2RAB9APDE10A
SCHEMBL4878073 0.87 PTGS1 (0.34) PTGS1CDC7CDK2PTGS2RAB9A
SCHEMBL4869383 0.86 ADRB2 (0.48) PTGS1CDC7CDK2PTGS2CYP2A6
SCHEMBL4873104 0.85 PTGS2 (0.38) PTGS1PTGS2
SCHEMBL4869334 0.85 MAPT (0.40) PTGS1PTGS2CYP2A6PDE10A

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 6 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
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO 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 PTGS1 527/4885CDC7 1474/4885CDK2 2090/4885

“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.