SCHEMBL12574792

SCHEMBL12574792

C/C=C/c1nc2cc(C(F)(F)F)ccc2nc1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
HRH4 Q9H3N8 1/20 0.39
BACE1 P56817 1/20 0.37
NPBWR1 P48145 1/20 0.37
PDE10A Q9Y233 9/20 0.36
PDE2A O00408 7/20 0.36
DHFR P00374 2/20 0.36
PDE7A Q13946 1/20 0.36
EPHX2 P34913 1/20 0.36
SCN4A P35499 1/20 0.36

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
SCHEMBL12574787 1.00 KDM4E (0.47) KDM4EHRH4BACE1NPBWR1PDE10A
SCHEMBL2020323 0.83 KDM4E (0.49) KDM4EBACE1NPBWR1PDE10APDE2A
SCHEMBL2021762 0.83 KDM4E (0.49) KDM4EBACE1NPBWR1PDE10APDE2A
SCHEMBL7935792 0.80 KDM4E (0.43) KDM4EHRH4PDE10APDE2A
SCHEMBL12574606 0.80 KDM4E (0.43) KDM4EHRH4PDE10APDE2A
SCHEMBL12574724 0.79 KDM4E (0.50) KDM4EBACE1PDE10A
SCHEMBL7937741 0.79 KDM4E (0.50) KDM4EBACE1PDE10A
SCHEMBL12574841 0.78 PDE10A (0.40) KDM4EPDE10APDE2ADHFRPDE7A
SCHEMBL7934977 0.75 NOS2 (0.32) PDE10A
SCHEMBL7938166 0.75 NQO2 (0.40) KDM4EBACE1PDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A KDM4E 322/4885HRH4 877/4885BACE1 2544/4885

“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.