SCHEMBL6900697

SCHEMBL6900697

Cc1cc(-c2cc3nc(N4CCCC4)cc(NC4CCOCC4)n3n2)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.60
KDM4E B2RXH2 4/20 0.47
GAA P10253 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AHR P35869 1/20 0.46
NPC1 O15118 1/20 0.46
HCRTR1 O43613 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL14211864 0.90 PDE10A (0.53) PDE10AKDM4EGAAALDH1A1HPGD
SCHEMBL6900702 0.85 PDE10A (0.68) PDE10A
SCHEMBL2407822 0.84 PDE10A (0.82) PDE10A
Hydrochloric Acid SCHEMBL14119552 0.83 PDE10A (0.81) PDE10A
SCHEMBL2406769 0.81 PDE10A (0.67) PDE10A
SCHEMBL6900737 0.81 PDE10A (0.84) PDE10A
SCHEMBL2443594 0.80 PDE10A (0.71) PDE10A
SCHEMBL6900863 0.80 PDE10A (0.71) PDE10A
Hydrochloric Acid SCHEMBL14120819 0.80 PDE10A (0.66) PDE10A
SCHEMBL6900867 0.79 PDE10A (0.78) 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 6 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
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 5/4885KDM4E 408/4885GAA 3618/4885

“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.