SCHEMBL4154371

SCHEMBL4154371

Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cn4ccsc4n3)nc2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.48
LGALS3 P17931 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE4A P27815 6/20 0.45
PDE4B Q07343 6/20 0.45
PDE3B Q13370 5/20 0.45
PDE3A Q14432 5/20 0.45
MAPK13 O15264 1/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
BRAF P15056 1/20 0.40

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
SCHEMBL4158631 0.92 PDE10A (0.43) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL4765581 0.88 PDE10A (0.61) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL4159440 0.83 PDE10A (0.50) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL4150501 0.76 PDE10A (0.77) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL4162873 0.74 PDE10A (0.44) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL4765580 0.73 PDE10A (0.58) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL4153844 0.72 PDE10A (0.59) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL12970432 0.70 PDE10A (0.60) PDE10A
SCHEMBL4791752 0.69 PDE10A (0.67) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL4158252 0.69 PDE10A (0.66) PDE10ALGALS3PDE4DPDE4APDE4B

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-20090176829-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2009-07-09 US claimed
WO-2007129183-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-11-15 WO claimed
US-20090176829-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2009-07-09 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-20090176829-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE7A, PDE9A PDE10A 4/4885LGALS3 4543/4885PDE4D 17/4885

“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.