SCHEMBL6900743

SCHEMBL6900743

Cc1nc(C)c(-c2cc3nc(N4CCCC4)cc(N[C@H]4CC[C@](C)(O)CC4)n3n2)nc1C

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.75
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE6D O43924 1/20 0.39
PDE5A O76074 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 0.39
PDE6B P35913 1/20 0.39
PDE6C P51160 1/20 0.39
PDE6H Q13956 1/20 0.39
HSD11B1 P28845 1/20 0.35
CHRM3 P20309 1/20 0.34
NUDT1 P36639 1/20 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
SCHEMBL6899536 0.91 PDE10A (0.81) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14211785 0.90 PDE10A (0.70) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL6900532 0.90 PDE10A (0.70) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14211875 0.89 PDE10A (0.78) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14211834 0.88 PDE10A (0.72) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14211831 0.86 PDE10A (0.84) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14120391 0.86 PDE10A (0.94) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2434724 0.86 PDE10A (1.00) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL2445481 0.86 PDE10A (1.00) PDE10APDE4APDE4BPDE4CPDE4D
SCHEMBL14120392 0.86 PDE10A (0.94) PDE10APDE4APDE4BPDE4CPDE4D

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
US-8969376-B2 Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-03 US disclosed
US-8969376-B2 Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-03 US disclosed
US-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-06 US 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 5/4885PDE4A 8/4885PDE4B 13/4885

“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.