SCHEMBL2442272

SCHEMBL2442272

Oc1cc(O)n2nc(-c3nc4ccccc4nc3C(F)(F)F)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
MAPT P10636 5/20 0.36
KDM4E B2RXH2 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HSD17B10 Q99714 1/20 0.35
PDK1 Q15118 2/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
GAA P10253 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PDE10A Q9Y233 2/20 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
SCHEMBL2436498 0.80 PDE10A (0.41) TP53MAPTKDM4EGAAALDH1A1
SCHEMBL2437834 0.79 TP53 (0.39) TP53MAPTKDM4EL3MBTL1HSD17B10
SCHEMBL2441543 0.77 MAPT (0.35) MAPTKDM4EL3MBTL1HSD17B10GAA
SCHEMBL14119697 0.76 KDM4E (0.48) TP53MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL2440500 0.75 MIF (0.47) MAPTKDM4EPDK1PDK2PDK3
SCHEMBL14119712 0.72 PDE10A (0.47) MAPTKDM4EHSD17B10GAAALDH1A1
SCHEMBL2437455 0.71 KDM4E (0.41) TP53MAPTKDM4EL3MBTL1GAA
SCHEMBL2439360 0.70 RAB9A (0.36) TP53MAPTKDM4EGAAALDH1A1
SCHEMBL2441971 0.69 KDM4E (0.41) TP53MAPTKDM4EGAAALDH1A1
SCHEMBL23665936 0.68 FYN (0.46) TP53MAPTKDM4EL3MBTL1ALDH1A1

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 5 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
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 TP53 4616/4885MAPT 4404/4885KDM4E 408/4885

“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.