SCHEMBL2444632

SCHEMBL2444632

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.45
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.36
CASP3 P42574 1/20 0.36
BACE1 P56817 1/20 0.34
PDE10A Q9Y233 2/20 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
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE6H Q13956 1/20 0.33
MPO P05164 2/20 0.33
MAPK14 Q16539 2/20 0.33
NPC1 O15118 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
SCHEMBL2439563 0.86 ALDH1A1 (0.44) KDM4EKMT2ABACE1NPC1TP53
SCHEMBL2437873 0.86 ALDH1A1 (0.44) KDM4EKMT2ABACE1NPC1TP53
SCHEMBL2439505 0.84 ALDH1A1 (0.40) ILKKDM4EKMT2ANPC1TP53
SCHEMBL2445966 0.83 ILK (0.48) ILKKDM4EBACE1
SCHEMBL2434519 0.82 KDM4E (0.40) ILKKDM4EKMT2ABACE1MAPK14
SCHEMBL14734383 0.78 KDM4E (0.44) ILKKDM4EKMT2ACASP3BACE1
SCHEMBL2436848 0.75 KDM4E (0.33) ILKKDM4ENPC1TSHR
SCHEMBL2442378 0.74 ILK (0.32) ILK
SCHEMBL12638658 0.73 KDM4E (0.57) KDM4EKMT2ACASP3BACE1PDE10A
SCHEMBL2439517 0.72 MAPT (0.40) ILKMAPTMAPK1RAB9A

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 7 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
WO-2013027794-A1 NOVEL COMPOUND AND USE THEREOF AS PDE10 INHIBITOR 田辺三菱製薬株式会社 (JP) 2013-02-28 WO 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 408/4885KMT2A 1357/4885

“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.