SCHEMBL13723740

SCHEMBL13723740

COc1cccc(-c2nc(N)ncc2C(N)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.60
ADORA1 P30542 3/20 0.60
IKBKB O14920 1/20 0.51
PARP1 P09874 2/20 0.51
RIPK2 O43353 1/20 0.50
CHEK2 O96017 1/20 0.50
PDE4B Q07343 1/20 0.50
CLK1 P49759 2/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ADORA2B P29275 1/20 0.49
CDC7 O00311 1/20 0.47
PIK3CG P48736 1/20 0.47
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL13723345 0.83 ADORA1 (0.57) ADORA1PARP1RIPK2RAB9ACDC7
SCHEMBL13723824 0.80 PARP1 (0.49) ADORA1PARP1PDE4BMAPTCDC7
SCHEMBL4560200 0.79 CDC7 (0.56) ADORA2AADORA1IKBKBPARP1CDC7
SCHEMBL6174210 0.77 JAK2 (0.56) IKBKBPARP1RIPK2CHEK2PDE4B
SCHEMBL17005810 0.77 SYK (0.55) PDE4BMAPTTSHRPDGFRB
SCHEMBL14413494 0.77 RIPK2 (0.56) ADORA2AADORA1IKBKBPARP1RIPK2
SCHEMBL1355126 0.76 SYK (0.71)
SCHEMBL1355124 0.76 SYK (0.71)
SCHEMBL1971473 0.75 LMNA (0.53)
SCHEMBL27964932 0.75 ADORA2A (0.61) ADORA2AADORA1CLK1CDK5CDK5R1

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-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
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
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP 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
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 CN disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329785-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
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS 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 (7 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ADORA2A 3806/4885ADORA1 3688/4885IKBKB 577/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK ADORA2A 2295/4885ADORA1 2322/4885IKBKB 694/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ADORA2A 3806/4885ADORA1 3688/4885IKBKB 577/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK ADORA2A 3806/4885ADORA1 3688/4885IKBKB 577/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 ADORA2A 4298/4885ADORA1 4468/4885IKBKB 422/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ADORA2A 3784/4885ADORA1 3607/4885IKBKB 482/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ADORA2A 3784/4885ADORA1 3607/4885IKBKB 482/4885

“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.