SCHEMBL4876584

SCHEMBL4876584

Cc1ccc(-n2cc(-c3nccs3)nc2-c2ccc(Nc3ncccc3N)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.39
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
SYK P43405 5/20 0.35
CYP1A1 P04798 5/20 0.35
CYP1A2 P05177 5/20 0.35
CYP1B1 Q16678 5/20 0.35
TLR7 Q9NYK1 1/20 0.34
SRC P12931 2/20 0.34
ZAP70 P43403 2/20 0.34
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
JUN P05412 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDK2 P24941 1/20 0.32

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
SCHEMBL14194744 0.89 PDE10A (0.39) PDE10ACA2CA9CA12CA1
SCHEMBL14194758 0.87 PDE10A (0.39) PDE10ACA2CA9CA12CA1
SCHEMBL14194714 0.86 PDE10A (0.42) PDE10ACA2CA9CA12CA1
SCHEMBL14194774 0.85 PDE10A (0.39) PDE10ACA2CA9CA12CA1
SCHEMBL4806097 0.85 MAPT (0.41) CA2CA9SYKCYP1A1CYP1A2
SCHEMBL14194760 0.84 PDE10A (0.39) PDE10ACA2CA9CA12CA1
SCHEMBL4868735 0.79 PTGS1 (0.39) PDE10ASYKTLR7SRCZAP70
SCHEMBL4845511 0.77 TLR7 (0.38) PDE10ATLR7PTGS1
SCHEMBL4810556 0.77 PTGS1 (0.37) PDE10ATLR7CDK2PTGS1AURKA
SCHEMBL4802006 0.75 MAPT (0.41) PDE10ASYKCYP1A1CYP1A2CYP1B1

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 PDE10A 8/4885CA2 255/4885CA9 75/4885

“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.