SCHEMBL14320565

SCHEMBL14320565

COc1ccc(Cn2cc3nc(-c4cccc(OC)c4)nc(Cl)c3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.51
ADORA1 P30542 4/20 0.51
ADORA3 P0DMS8 4/20 0.51
ADORA2B P29275 1/20 0.51
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.44
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2B6 P20813 2/20 0.43
AHR P35869 2/20 0.43
NR1I3 Q14994 2/20 0.43
VDR P11473 1/20 0.43
CLK4 Q9HAZ1 4/20 0.43
DYRK1A Q13627 2/20 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
SCHEMBL14320268 0.93 ADORA3 (0.46) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL14320364 0.91 HDAC1 (0.45) ADORA2AADORA1ADORA3ADORA2BNR1H2
SCHEMBL15652292 0.91 ADORA3 (0.49) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL14320541 0.91 ADORA3 (0.46) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL13734641 0.90 ADORA3 (0.58) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL14320357 0.89 ADORA3 (0.43) ADORA2AADORA1ADORA3ADORA2BNR1H2
SCHEMBL14321226 0.89 KMT2A (0.46) ADORA2AADORA1ADORA3ADORA2BNR1H2
SCHEMBL14320731 0.89 ADORA3 (0.49) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL14320862 0.88 GRIN1 (0.48) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL13733915 0.88 MMP13 (0.48) ADORA2AADORA1ADORA3ADORA2BKMT2A

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 8 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
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 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 (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 ADORA2A 2295/4885ADORA1 2322/4885ADORA3 1989/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK ADORA2A 3806/4885ADORA1 3688/4885ADORA3 4155/4885

“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.