SCHEMBL9926692

SCHEMBL9926692

Cc1ccc(NC(=O)c2cnn3c(-c4ccccc4)cc(C)nc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.59
GSK3A P49840 1/20 0.59
GBA1 P04062 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPK13 O15264 2/20 0.56
LIMK1 P53667 1/20 0.56
MARK2 Q7KZI7 1/20 0.56
MAPT P10636 4/20 0.54
POLB P06746 2/20 0.54
MAPK9 P45984 1/20 0.54
DYRK1A Q13627 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
THRB P10828 1/20 0.53

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
SCHEMBL9926654 0.89 MAPT (0.62) EPHA2GSK3AGBA1ALDH1A1MAPK13
SCHEMBL9926640 0.89 ALDH1A1 (0.71) EPHA2GSK3AGBA1ALDH1A1MAPK13
SCHEMBL9926650 0.87 MAPT (0.74) EPHA2GSK3AGBA1ALDH1A1MAPK13
SCHEMBL17739944 0.84 GBA1 (0.71) EPHA2GSK3AGBA1ALDH1A1MAPT
SCHEMBL9926736 0.83 GBA1 (0.77) GBA1ALDH1A1MAPTPOLBNPC1
SCHEMBL15993443 0.82 ALDH1A1 (0.80) GBA1ALDH1A1MAPTPOLBTP53
SCHEMBL9926641 0.81 GBA1 (0.73) GBA1ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL2464155 0.80 GBA1 (0.58) EPHA2GSK3AGBA1ALDH1A1MAPT
SCHEMBL9926652 0.80 L3MBTL1 (0.53) EPHA2GSK3AALDH1A1MAPK13LIMK1
SCHEMBL7362761 0.79 MAPT (0.61) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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 18 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
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 (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-20160346284-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS GBA1, GAA, GBA3 EPHA2 4869/4885GSK3A 4001/4885GBA1 1/4885
US-20140249145-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS GLUCOCEREBROSIDASE ACTIVATORS GBA1, GAA, GBA3 EPHA2 4869/4885GSK3A 4001/4885GBA1 1/4885
US-10925874-B2 Substituted pyrazolopyrimidines as glucocerebrosidase activators GBA1, GAA, GBA3 EPHA2 4869/4885GSK3A 4001/4885GBA1 1/4885

“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.