SCHEMBL14211864

SCHEMBL14211864

Cc1cc(-c2cc3nc(N4CC[C@@H](F)C4)cc(NC4CCOCC4)n3n2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.53
AHR P35869 1/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
HCRTR1 O43613 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE6D O43924 1/20 0.42
PDE5A O76074 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42
PDE4A P27815 1/20 0.42
PDE6B P35913 1/20 0.42
PDE6C P51160 1/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL6900697 0.90 PDE10A (0.60) PDE10AAHRKDM4EGAAALDH1A1
SCHEMBL14211866 0.86 PDE10A (0.60) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14119732 0.85 PDE10A (0.72) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14211803 0.85 PDE10A (0.72) PDE10APDE6DPDE5APDE6APDE6G
Hydrochloric Acid SCHEMBL14119954 0.84 PDE10A (0.73) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14211811 0.81 PDE10A (0.58) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14211814 0.80 PDE10A (0.59) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL14211810 0.80 PDE10A (0.68) PDE10APDE6DPDE5APDE6APDE6G
SCHEMBL6900533 0.78 PDE10A (0.71) PDE10ARAB9APDE6DPDE5APDE6A
SCHEMBL6901211 0.78 PDE10A (0.68) PDE10APDE6DPDE5APDE6APDE6G

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 4 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

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 5/4885AHR 2604/4885KDM4E 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.