SCHEMBL12952976

SCHEMBL12952976

CC(C)(C)c1cc(Cl)n2nccc2n1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.61
KDM4E B2RXH2 1/20 0.38
KCNN3 Q9UGI6 11/20 0.37
KCNN1 Q92952 2/20 0.36
KCNN2 Q9H2S1 2/20 0.36
DGAT1 O75907 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
MAPT P10636 1/20 0.32
GAA P10253 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
SCHEMBL26870956 0.83 PDE10A (0.53) PDE10AKCNN3KCNN1KCNN2
SCHEMBL12953881 0.83 PDE10A (0.61) PDE10AKDM4EKCNN3KCNN1KCNN2
SCHEMBL26870905 0.82 PDE10A (0.51) PDE10AKCNN3KCNN1KCNN2
SCHEMBL21754101 0.81 PDE10A (0.41) PDE10AKDM4EKCNN3DGAT1MEN1
SCHEMBL21849086 0.81 KDM4E (0.42) PDE10AKDM4EKCNN3KCNN1KCNN2
SCHEMBL26871132 0.79 PDE10A (0.49) PDE10AKCNN3KCNN1KCNN2
SCHEMBL26871232 0.79 PDE10A (0.49) PDE10AKCNN3KCNN1KCNN2MAPT
SCHEMBL24965992 0.77 PDE10A (0.38) PDE10AKDM4EKCNN3KCNN1KCNN2
SCHEMBL27116430 0.77 PDE10A (0.38) PDE10AKDM4EKCNN3DGAT1
SCHEMBL27114778 0.77 CCNT1 (0.38) PDE10AKDM4EKCNN3MAPT

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 51 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
EP-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 EP 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-1934224-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORP (US) 2010-06-09 EP disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 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-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 US disclosed
US-20070054925-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070054925-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A PDE10A 1590/4885KDM4E 731/4885KCNN3 3841/4885
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A PDE10A 1177/4885KDM4E 462/4885KCNN3 4291/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A PDE10A 1590/4885KDM4E 731/4885KCNN3 3841/4885

“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.