SCHEMBL6900520

SCHEMBL6900520

CCCc1cnc(-c2cc3nc(N4CCCC4)cc(N(C)C4CCOCC4)n3n2)c(C)n1

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 18/20 0.88
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2438043 0.93 PDE10A (1.00) PDE10AKDM4EMAPTTSHRHSD17B10
SCHEMBL2439865 0.84 PDE10A (0.72) PDE10ATSHR
SCHEMBL14211874 0.84 PDE10A (0.80) PDE10AKDM4EMAPTTSHRHSD17B10
SCHEMBL14211897 0.83 PDE10A (0.81) PDE10AKDM4EMAPTTSHRHSD17B10
SCHEMBL6898062 0.81 PDE10A (0.68) PDE10AKDM4EMAPTTSHRHSD17B10
SCHEMBL2408367 0.80 PDE10A (0.81) PDE10A
Hydrochloric Acid SCHEMBL2407259 0.80 PDE10A (0.81) PDE10A
SCHEMBL16639162 0.75 PDE10A (0.69) PDE10AKDM4EMAPTTSHRHSD17B10
SCHEMBL6898045 0.74 PDE10A (0.63) PDE10AKDM4EMAPTTSHRHSD17B10
SCHEMBL14211891 0.74 PDE10A (0.63) PDE10AKDM4EMAPTTSHRHSD17B10

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 408/4885MAPT 4404/4885

“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.