SCHEMBL9926696

SCHEMBL9926696

Cc1cc(C)n2ncc(C(=O)N3CCN(C)CC3)c2n1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.65
HPGD P15428 11/20 0.65
ALDH1A1 P00352 11/20 0.65
HSD17B10 Q99714 2/20 0.65
HTT P42858 1/20 0.54
POLB P06746 2/20 0.53
GBA1 P04062 2/20 0.48
MAPT P10636 2/20 0.48
PLEC Q15149 1/20 0.47
CYP1A1 P04798 1/20 0.47
HSD11B1 P28845 1/20 0.46

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
SCHEMBL9926689 0.90 HPGD (0.70) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL4203652 0.89 HPGD (0.72) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL4212013 0.85 KDM4E (0.76) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL14535837 0.82 ALDH1A1 (0.57) KDM4EHPGDALDH1A1HSD17B10HTT
SCHEMBL4205006 0.81 ALDH1A1 (0.76) KDM4EHPGDALDH1A1HSD17B10HTT
SCHEMBL4203423 0.80 HPGD (0.60) KDM4EHPGDALDH1A1HSD17B10CYP1A1
SCHEMBL1422926 0.79 KDM4E (1.00) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL4200982 0.79 POLB (0.66) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL21238857 0.78 KDM4E (0.79) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL15992666 0.78 MAPT (0.67) KDM4EHPGDALDH1A1HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249145-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-09-04 US claimed
EP-3366688-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS US HEALTH (US) 2022-02-09 EP disclosed
EP-3366688-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS US HEALTH (US) 2022-02-09 EP disclosed
US-10925874-B2 Substituted pyrazolopyrimidines as glucocerebrosidase activators THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-23 US disclosed
US-10925874-B2 Substituted pyrazolopyrimidines as glucocerebrosidase activators THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-23 US disclosed
US-20180263988-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2018-09-20 US disclosed
EP-3366688-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2018-08-29 EP disclosed
US-9974789-B2 Substituted pyrazolopyrimidines as glucocerebrosidase activators THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-22 US disclosed
US-9974789-B2 Substituted pyrazolopyrimidines as glucocerebrosidase activators THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-22 US disclosed
US-9974789-B2 Substituted pyrazolopyrimidines as glucocerebrosidase activators THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-22 US disclosed
US-20160346284-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS US HEALTH (US) 2016-12-01 US disclosed
US-20160346284-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS US HEALTH (US) 2016-12-01 US disclosed
US-20160346284-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS US HEALTH (US) 2016-12-01 US disclosed
US-9353117-B2 Substituted pyrazolopyrimidines as glucocerebrosidase activators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-05-31 US disclosed
US-9353117-B2 Substituted pyrazolopyrimidines as glucocerebrosidase activators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-05-31 US disclosed
US-9353117-B2 Substituted pyrazolopyrimidines as glucocerebrosidase activators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-05-31 US disclosed
US-20140249145-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-09-04 US disclosed
US-20140249145-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-09-04 US disclosed
US-20140249145-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-09-04 US disclosed
WO-2012078855-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-06-14 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 (4 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-20180263988-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS GBA1, GAA, GBA3 KDM4E 2174/4885HPGD 2444/4885ALDH1A1 2433/4885
US-20160346284-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS GBA1, GAA, GBA3 KDM4E 2174/4885HPGD 2444/4885ALDH1A1 2433/4885
US-20140249145-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS GBA1, GAA, GBA3 KDM4E 2174/4885HPGD 2444/4885ALDH1A1 2433/4885
US-10925874-B2 Substituted pyrazolopyrimidines as glucocerebrosidase activators GBA1, GAA, GBA3 KDM4E 2174/4885HPGD 2444/4885ALDH1A1 2433/4885

“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.