SCHEMBL16034797

SCHEMBL16034797

CC(C)(C)OC(=O)N1CCc2c(ncnc2-c2cn[nH]c2)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.59
▸ PIK3CD O00329 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.43
▸ PARP1 P09874 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ MKNK1 Q9BUB5 4/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ CSNK1E P49674 1/20 0.39
▸ ESR2 Q92731 1/20 0.38
▸ ADORA1 P30542 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 0.84 P2RX7 (0.57) P2RX7PARP1TNKS2PARP2MAPT
SCHEMBL31518819 0.78 ADORA1 (0.46) PARP1TNKS2PARP2MAPTMKNK1
SCHEMBL9951760 0.78 ESR2 (0.48) PARP1TNKS2PARP2MAPTMKNK1
SCHEMBL29899537 0.77 MKNK1 (0.46) PARP1TNKS2PARP2MAPTMKNK1
SCHEMBL30603343 0.77 ESR2 (0.47) PARP1TNKS2PARP2MAPTMKNK1
SCHEMBL19959250 0.77 ADORA1 (0.49) PARP1TNKS2PARP2MAPTMKNK1
SCHEMBL1497077 0.77 MKNK1 (0.48) PARP1TNKS2PARP2MAPTMKNK1
SCHEMBL16033728 0.77 P2RX7 (0.57) P2RX7GPR119PARP1TNKS2PARP2
SCHEMBL16033973 0.77 P2RX7 (0.55) P2RX7PARP1TNKS2PARP2MAPT
SCHEMBL29899538 0.77 ADORA1 (0.45) PARP1TNKS2PARP2MAPTMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20170174680-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-22 — — US disclosed
US-9604982-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2017-03-28 — — US disclosed
EP-3112366-A1 P2X7 MODULATORS Janssen Pharmaceutica, N.V. (BE) 2017-01-04 — — EP 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-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 (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-10323032-B2 P2X7 Modulators P2RX7, P2RX1, P2RX3 P2RX7 1/4885PIK3CD 857/4885GPR119 82/4885
US-20140275120-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 P2RX7 1/4885PIK3CD 983/4885GPR119 96/4885
US-20160024082-A1 P2X7 MODULATORS P2RX1, P2RX5, P2RX3 P2RX7 4/4885PIK3CD 524/4885GPR119 35/4885
US-20170174680-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 P2RX7 1/4885PIK3CD 857/4885GPR119 82/4885
US-20180072724-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 P2RX7 1/4885PIK3CD 857/4885GPR119 82/4885

“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.

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