SCHEMBL2441971

SCHEMBL2441971

Cc1cc2nc(C)c(-c3cc4nc(O)cc(O)n4n3)nc2cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 7/20 0.36
RAB9A P51151 6/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
NFKB1 P19838 1/20 0.34
HTT P42858 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
PDE10A Q9Y233 8/20 0.33
PDE6D O43924 1/20 0.33
PDE5A O76074 1/20 0.33
PDE6A P16499 1/20 0.33
PDE6G P18545 1/20 0.33
PDE4A P27815 1/20 0.33
PDE6B P35913 1/20 0.33
PDE6C P51160 1/20 0.33
PDE4B Q07343 1/20 0.33

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 0.89 PDE10A (0.41) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL2437455 0.87 KDM4E (0.41) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL2440003 0.87 KDM4E (0.41) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL2438730 0.85 MAPT (0.38) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL14119712 0.85 PDE10A (0.47) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL2439360 0.83 RAB9A (0.36) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL2437449 0.83 RAB9A (0.36) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL14119697 0.82 KDM4E (0.48) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL2439242 0.79 KDM4E (0.30) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL14120174 0.78 PDE10A (0.40) KDM4EMAPTNPC1RAB9AALDH1A1

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 KDM4E 408/4885MAPT 4404/4885NPC1 4264/4885

“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.