SCHEMBL16033973

SCHEMBL16033973

CC(C)(C)OC(=O)N1CCc2c(ncnc2-c2cscn2)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.55
▸ MKNK1 Q9BUB5 10/20 0.43
▸ ADORA1 P30542 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ESR2 Q92731 1/20 0.38

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
SCHEMBL16033934 0.79 P2RX7 (0.57) P2RX7MKNK1PARP1TNKS2PARP2
SCHEMBL16033728 0.79 P2RX7 (0.57) P2RX7MKNK1ADORA1PARP1TNKS2
SCHEMBL22615289 0.79 MAPK1 (0.43) P2RX7MKNK1ADORA1PARP1TNKS2
SCHEMBL31518819 0.78 ADORA1 (0.46) MKNK1ADORA1PARP1TNKS2PARP2
SCHEMBL9951760 0.78 ESR2 (0.48) MKNK1ADORA1PARP1TNKS2PARP2
SCHEMBL19910526 0.78 PARP1 (0.41) MKNK1ADORA1PARP1TNKS2PARP2
SCHEMBL1497077 0.77 MKNK1 (0.48) MKNK1ADORA1PARP1TNKS2PARP2
SCHEMBL19959250 0.77 ADORA1 (0.49) MKNK1ADORA1PARP1TNKS2PARP2
SCHEMBL30603343 0.77 ESR2 (0.47) MKNK1ADORA1PARP1TNKS2PARP2
SCHEMBL29899537 0.77 MKNK1 (0.46) MKNK1ADORA1PARP1TNKS2PARP2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323032-B2 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2019-06-18 — — US disclosed
US-10323032-B2 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2019-06-18 — — US disclosed
EP-3321266-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2018-05-16 — — EP disclosed
US-20180072724-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 — — US disclosed
US-20180072724-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 — — US disclosed
US-20180072724-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 — — US disclosed
EP-3112366-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-02-28 — — EP disclosed
EP-3112366-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-02-28 — — EP disclosed
EP-2970271-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-08 — — EP disclosed
EP-2970271-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-08 — — EP disclosed
US-20160024082-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-28 — — US disclosed
US-20160024082-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-28 — — US disclosed
US-20160024082-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-28 — — US disclosed
US-9096596-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-08-04 — — US disclosed
US-9096596-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-08-04 — — US disclosed
US-9096596-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-08-04 — — US disclosed
WO-2014152589-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 — — WO disclosed
US-20140275120-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 — — US disclosed
US-20140275120-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 — — US disclosed
US-20140275120-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 — — 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 (4 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-10323032-B2 P2X7 Modulators P2RX7, P2RX1, P2RX3 P2RX7 1/4885MKNK1 2673/4885ADORA1 15/4885
US-20140275120-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 P2RX7 1/4885MKNK1 2704/4885ADORA1 15/4885
US-20160024082-A1 P2X7 MODULATORS P2RX1, P2RX5, P2RX3 P2RX7 4/4885MKNK1 1967/4885ADORA1 43/4885
US-20180072724-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 P2RX7 1/4885MKNK1 2673/4885ADORA1 15/4885

“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.

Send feedback