SCHEMBL9901617

SCHEMBL9901617

Cc1cc(C)n2ncc(C(=O)NCc3ccccc3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
HPGD P15428 7/20 1.00
KDM4E B2RXH2 7/20 1.00
HSD17B10 Q99714 2/20 0.80
CYP1A1 P04798 1/20 0.79
USP2 O75604 1/20 0.78
TSHR P16473 1/20 0.78
APOBEC3A P31941 1/20 0.62
POLB P06746 3/20 0.61
MAPT P10636 2/20 0.59
LMNA P02545 2/20 0.58
TP53 P04637 1/20 0.58
RECQL P46063 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPK10 P53779 1/20 0.57

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
SCHEMBL9926700 0.88 HPGD (0.78) ALDH1A1HPGDKDM4EHSD17B10CYP1A1
SCHEMBL24477299 0.83 ALDH1A1 (0.71) ALDH1A1HPGDKDM4EHSD17B10CYP1A1
SCHEMBL2456900 0.83 ALDH1A1 (0.71) ALDH1A1HPGDKDM4EHSD17B10CYP1A1
SCHEMBL9926547 0.82 KDM4E (0.69) ALDH1A1HPGDKDM4EHSD17B10CYP1A1
SCHEMBL9926641 0.81 GBA1 (0.73) ALDH1A1HPGDKDM4EHSD17B10CYP1A1
SCHEMBL2459924 0.81 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EHSD17B10CYP1A1
SCHEMBL9926694 0.81 KDM4E (0.72) ALDH1A1HPGDKDM4EHSD17B10CYP1A1
SCHEMBL2459925 0.80 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EHSD17B10CYP1A1
SCHEMBL14546704 0.80 HPGD (0.67) ALDH1A1HPGDKDM4EHSD17B10CYP1A1
SCHEMBL2459373 0.80 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EHSD17B10CYP1A1

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 20 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
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
EP-2649075-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2013-10-16 EP 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
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 ALDH1A1 2433/4885HPGD 2444/4885KDM4E 2174/4885
US-20160346284-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS GBA1, GAA, GBA3 ALDH1A1 2433/4885HPGD 2444/4885KDM4E 2174/4885
US-20140249145-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS GBA1, GAA, GBA3 ALDH1A1 2433/4885HPGD 2444/4885KDM4E 2174/4885
US-10925874-B2 Substituted pyrazolopyrimidines as glucocerebrosidase activators GBA1, GAA, GBA3 ALDH1A1 2433/4885HPGD 2444/4885KDM4E 2174/4885

“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.