SCHEMBL16033934

SCHEMBL16033934

CC(C)(C)OC(=O)N1CCc2c(ncnc2-c2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.57
▸ CKS1B P61024 2/20 0.50
▸ SKP1 P63208 2/20 0.50
▸ SKP2 Q13309 2/20 0.50
▸ P2RX3 P56373 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.46
▸ PARP2 Q9UGN5 1/20 0.46
▸ KIT P10721 1/20 0.45
▸ UCHL1 P09936 1/20 0.45
▸ MKNK1 Q9BUB5 5/20 0.44
▸ MAPT P10636 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ PDE10A Q9Y233 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
SCHEMBL16034797 0.84 P2RX7 (0.59) P2RX7PARP1TNKS2PARP2MKNK1
SCHEMBL16034586 0.83 PARP1 (0.43) P2RX7P2RX3PARP1TNKS2PARP2
SCHEMBL31518819 0.81 ADORA1 (0.46) P2RX3PARP1TNKS2PARP2MKNK1
SCHEMBL9951760 0.81 ESR2 (0.48) P2RX3PARP1TNKS2PARP2MKNK1
SCHEMBL19959250 0.80 ADORA1 (0.49) PARP1TNKS2PARP2MKNK1MAPT
SCHEMBL29899537 0.80 MKNK1 (0.46) P2RX3PARP1TNKS2PARP2MKNK1
SCHEMBL30603343 0.80 ESR2 (0.47) P2RX3PARP1TNKS2PARP2MKNK1
SCHEMBL1497077 0.80 MKNK1 (0.48) P2RX3PARP1TNKS2PARP2MKNK1
SCHEMBL12386806 0.80 P2RX7 (0.69) P2RX7
SCHEMBL21818604 0.80 P2RX7 (0.59) P2RX7CKS1BSKP1SKP2P2RX3

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 1/4885CKS1B 2932/4885SKP1 3937/4885
US-20140275120-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 P2RX7 1/4885CKS1B 2870/4885SKP1 3922/4885
US-20160024082-A1 P2X7 MODULATORS P2RX1, P2RX5, P2RX3 P2RX7 4/4885CKS1B 1838/4885SKP1 3223/4885
US-20170174680-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 P2RX7 1/4885CKS1B 2932/4885SKP1 3937/4885
US-20180072724-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 P2RX7 1/4885CKS1B 2932/4885SKP1 3937/4885

“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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