SCHEMBL17182829

SCHEMBL17182829

COCCNc1cc(Cl)nc2c(Br)cnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.44
CDK2 P24941 6/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
CTNNB1 P35222 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL20627807 0.83 GSK3B (0.43) GSK3BCDK2KDM4EMAPT
SCHEMBL15739878 0.80 CDK2 (0.43) GSK3BCDK2
SCHEMBL17182938 0.79 CDK2 (0.49) GSK3BCDK2
SCHEMBL20627101 0.78 GSK3B (0.51) GSK3BCDK2KDM4EALDH1A1HPGD
SCHEMBL14543039 0.78 GSK3B (0.61) GSK3BCDK2
SCHEMBL17182826 0.77 CDK2 (0.47) GSK3BCDK2
SCHEMBL20627702 0.76 KDM4E (0.40) GSK3BCDK2KDM4EALDH1A1HPGD
SCHEMBL16720804 0.75 GSK3B (0.44) GSK3BCDK2
SCHEMBL17182964 0.75 KDM4E (0.41) GSK3BCDK2KDM4EALDH1A1HPGD
SCHEMBL17182959 0.75 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10GLA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570143-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2020-02-25 US disclosed
US-10570143-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2020-02-25 US disclosed
US-20190040074-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2019-02-07 US disclosed
US-20190040074-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2019-02-07 US disclosed
EP-2920181-B1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIV HEALTH NETWORK (CA) 2019-01-09 EP disclosed
EP-2920181-B1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIV HEALTH NETWORK (CA) 2019-01-09 EP disclosed
US-10106545-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2018-10-23 US disclosed
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2017-08-03 US disclosed
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2017-08-03 US disclosed
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2017-08-03 US disclosed
US-9573954-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2017-02-21 US disclosed
US-9573954-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2017-02-21 US disclosed
US-9573954-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2017-02-21 US disclosed
US-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2015-10-22 US disclosed
US-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2015-10-22 US disclosed
US-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2015-10-22 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 (5 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-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD GSK3B 3725/4885CDK2 1483/4885KDM4E 2089/4885
US-10570143-B2 Pyrazolopyrimidine compounds CYP3A5, CYP3A7, DPYD GSK3B 3725/4885CDK2 1483/4885KDM4E 2089/4885
US-10106545-B2 Pyrazolopyrimidine compounds CYP3A5, CYP3A7, DPYD GSK3B 3890/4885CDK2 1430/4885KDM4E 2636/4885
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD GSK3B 3890/4885CDK2 1430/4885KDM4E 2636/4885
US-20190040074-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD GSK3B 3890/4885CDK2 1430/4885KDM4E 2636/4885

“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.