SCHEMBL2223751

SCHEMBL2223751

COCCOCCN(C(=O)O)c1cccc(Cc2nn(-c3cc(F)c(F)c(F)c3)ccc2=O)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.32
GPR52 Q9Y2T5 1/20 0.31
GAA P10253 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
SCHEMBL13274853 0.95 PDE10A (0.33) PDE10AGPR52GAA
SCHEMBL13274933 0.93 CYP1A2 (0.35) PDE10AGAA
SCHEMBL13275023 0.93 KDM4E (0.32) PDE10AGAA
SCHEMBL13275012 0.87 CYP1A2 (0.35) PDE10AGAA
SCHEMBL13275659 0.87 KDM4E (0.34) PDE10AGAA
SCHEMBL2223741 0.87 PDE10A (0.34) PDE10A
SCHEMBL2362863 0.86 PDE10A (0.35) PDE10AGAA
SCHEMBL2223072 0.85 PDE10A (0.37) PDE10AGAA
SCHEMBL13275164 0.85 CACNA2D1 (0.39) PDE10AGAA
SCHEMBL2221519 0.85 TP53 (0.35) PDE10AGAA

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-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 PDE10A 4035/4885GPR52 2803/4885GAA 1463/4885

“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.