SCHEMBL5453702

SCHEMBL5453702

Clc1cc(-c2ccoc2)nc2ccnn12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.54
KDM5B Q9UGL1 1/20 0.38
FYN P06241 3/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
HTR7 P34969 2/20 0.35
HTR6 P50406 2/20 0.35
PIK3CG P48736 1/20 0.35
ABCB1 P08183 1/20 0.35
ADORA1 P30542 1/20 0.34
RAD52 P43351 1/20 0.33

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
SCHEMBL5460449 0.82 CHEK1 (0.42) PDE10AKDM5BFYNADORA3ADORA2A
SCHEMBL14043135 0.82 ADORA3 (0.39) PDE10AKDM5BFYNADORA3ADORA2A
SCHEMBL312516 0.80 PDE10A (0.64) PDE10APIK3CGRAD52
SCHEMBL5460421 0.80 PDE10A (0.59) PDE10AHTR1ADRD2HTR6PIK3CG
SCHEMBL14528858 0.78 KDM5B (0.36) PDE10AKDM5BFYNADORA3ADORA2A
SCHEMBL8570252 0.77 PDE10A (0.56) PDE10AHTR1ADRD2HTR6PIK3CG
SCHEMBL13778098 0.77 PDE10A (0.56) PDE10AHTR1ADRD2HTR6PIK3CG
SCHEMBL13304943 0.75 PDE10A (0.53) PDE10AHTR1ADRD2HTR6PIK3CG
SCHEMBL5468136 0.75 PDE10A (0.53) PDE10AFYNADORA3ADORA2AADORA2B
SCHEMBL9141997 0.75 PDE10A (0.53) PDE10APIK3CGRAD52

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 US disclosed
US-7807683-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-7807683-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 EP disclosed
US-7514442-B2 Trisubstituted 4-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-04-07 US disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 US disclosed
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
EP-1671962-A1 NOVEL FUSED HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-21 EP disclosed
EP-0820997-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2001-07-25 EP disclosed
US-5985882-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0820997-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-28 EP 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 (2 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-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A PDE10A 1177/4885KDM5B 197/4885FYN 1899/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A PDE10A 1590/4885KDM5B 670/4885FYN 1388/4885

“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.