SCHEMBL2440117

SCHEMBL2440117

Cc1nc2ccccc2nc1-c1cc2nc(Cl)cc(CC3CCOCC3)n2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.48
PDE2A O00408 3/20 0.35
HPGD P15428 1/20 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
PIK3CG P48736 1/20 0.33
BRD4 O60885 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2441160 0.89 PDE10A (0.49) PDE10APDE2AHPGDPDE6DPDE5A
SCHEMBL2405555 0.85 PDE10A (0.57) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL2438779 0.80 PDE10A (0.48) PDE10APDE2AHPGDPDE6DPDE5A
SCHEMBL2434725 0.80 PDE10A (0.61) PDE10APDE2APDE6DPDE5APDE6A
SCHEMBL2436072 0.80 PDE10A (0.70) PDE10APDE2AHPGDPDE6DPDE5A
SCHEMBL2437251 0.76 PDE10A (0.41) PDE10AHPGDKDM4E
SCHEMBL2443293 0.72 PDE10A (0.46) PDE10AHPGDPDE6DPDE5APDE6A
SCHEMBL16524418 0.72 PDE10A (0.53) PDE10APDE2AKDM4E
SCHEMBL2436958 0.71 PDE10A (0.62) PDE10APDE2APDE6DPDE5APDE6A
SCHEMBL2439763 0.71 PDE10A (0.51) PDE10A

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 PDE10A 5/4885PDE2A 6/4885HPGD 624/4885

“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.