SCHEMBL13734641

SCHEMBL13734641

COc1ccc(Cn2cc3nc(-c4ccccc4)nc(Cl)c3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 0.58
ADORA2A P29274 3/20 0.58
ADORA1 P30542 3/20 0.58
ADORA2B P29275 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL14320731 0.94 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BNPC1
SCHEMBL14320565 0.90 ADORA2A (0.51) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL14320454 0.90 ADORA3 (0.46) ADORA3ADORA2AADORA1ADORA2BNPC1
SCHEMBL15650211 0.89 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BNPC1
SCHEMBL14320268 0.89 ADORA3 (0.46) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL14320663 0.89 ADORA3 (0.45) ADORA3ADORA2AADORA1ADORA2BNPC1
SCHEMBL15651301 0.88 MAT2A (0.47) ADORA3ADORA2AADORA1ADORA2BNPC1
SCHEMBL14320841 0.88 ADORA3 (0.47) ADORA3ADORA2AADORA1ADORA2BNPC1
SCHEMBL14320541 0.87 ADORA3 (0.46) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL15652292 0.87 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP claimed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US claimed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 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 (2 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-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK ADORA3 1989/4885ADORA2A 2295/4885ADORA1 2322/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK ADORA3 4155/4885ADORA2A 3806/4885ADORA1 3688/4885

“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.