SCHEMBL2445966

SCHEMBL2445966

Cc1nc2ccc(C(F)(F)F)cc2nc1-c1cc(N)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.48
KDM4E B2RXH2 1/20 0.48
BACE1 P56817 1/20 0.38
IKBKB O14920 2/20 0.38
DHFR P00374 8/20 0.37
EPHX2 P34913 1/20 0.37
SCN4A P35499 1/20 0.37
NPBWR1 P48145 1/20 0.35
DYRK1A Q13627 1/20 0.34
TYMS P04818 2/20 0.34

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
SCHEMBL2444632 0.83 ILK (0.45) ILKKDM4EBACE1
SCHEMBL2439563 0.82 ALDH1A1 (0.44) KDM4EBACE1
SCHEMBL2437873 0.82 ALDH1A1 (0.44) KDM4EBACE1
SCHEMBL2439505 0.81 ALDH1A1 (0.40) ILKKDM4EIKBKB
SCHEMBL2434519 0.79 KDM4E (0.40) ILKKDM4EBACE1
SCHEMBL14346420 0.75 KDM4E (0.41) ILKKDM4EDHFRDYRK1A
SCHEMBL27894067 0.74 KDM4E (0.48) ILKKDM4EBACE1DHFREPHX2
SCHEMBL14911015 0.72 NOTUM (0.51) ILKKDM4EBACE1IKBKB
SCHEMBL2436848 0.72 KDM4E (0.33) ILKKDM4E
SCHEMBL2441949 0.72 PKM (0.43) KDM4EDHFRDYRK1A

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
EP-2539342-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-15 EP disclosed
US-8969376-B2 Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-03 US disclosed
EP-2539342-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2013-01-02 EP disclosed
US-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-06 US disclosed
CN-102770435-A Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORP 2012-11-07 CN disclosed
WO-2011105628-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-01 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-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE3B, PDE3A, PDE5A ILK 3783/4885KDM4E 408/4885BACE1 3778/4885

“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.