SCHEMBL9926547

SCHEMBL9926547

Cc1cc(C)n2ncc(C(=O)NCc3ccco3)c2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.69
ALDH1A1 P00352 15/20 0.69
HPGD P15428 11/20 0.69
HSD17B10 Q99714 7/20 0.64
CYP1A1 P04798 1/20 0.64
MAPT P10636 7/20 0.63
NPSR1 Q6W5P4 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
HTT P42858 4/20 0.63
KMT2A Q03164 4/20 0.62
CASP1 P29466 4/20 0.62
TSHR P16473 7/20 0.61
MEN1 O00255 3/20 0.61
LMNA P02545 3/20 0.61
POLB P06746 3/20 0.61
TP53 P04637 2/20 0.61
USP2 O75604 2/20 0.61
ALOX12 P18054 1/20 0.61
CASP7 P55210 4/20 0.61
MAPK1 P28482 1/20 0.60

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
SCHEMBL24477299 0.84 ALDH1A1 (0.71) KDM4EALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL9901617 0.82 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL24477300 0.78 ALDH1A1 (0.72) KDM4EALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL22767493 0.78 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL9926700 0.77 HPGD (0.78) KDM4EALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL9926694 0.77 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL22767521 0.76 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL23015456 0.76 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL1006755 0.76 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10CYP1A1
SCHEMBL17739834 0.76 GBA1 (0.63) KDM4EALDH1A1HPGDHSD17B10CYP1A1

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 17 patents. 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
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
EP-2649075-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS US HEALTH (US) 2018-04-25 EP disclosed
EP-2649075-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS US HEALTH (US) 2018-04-25 EP 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-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 2174/4885ALDH1A1 2433/4885HPGD 2444/4885
US-20160346284-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS GBA1, GAA, GBA3 KDM4E 2174/4885ALDH1A1 2433/4885HPGD 2444/4885
US-20140249145-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS GBA1, GAA, GBA3 KDM4E 2174/4885ALDH1A1 2433/4885HPGD 2444/4885
US-10925874-B2 Substituted pyrazolopyrimidines as glucocerebrosidase activators GBA1, GAA, GBA3 KDM4E 2174/4885ALDH1A1 2433/4885HPGD 2444/4885

“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.