SCHEMBL16089603

SCHEMBL16089603

Cn1nc(-c2cccnc2)c2c1CNCC2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.47
▸ PARP10 Q53GL7 1/20 0.40
▸ PARP11 Q9NR21 1/20 0.40
▸ ACVR1 Q04771 2/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37

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
Hydrochloric Acid SCHEMBL16036462 0.99 P2RX7 (0.46) P2RX7PARP10PARP11ACVR1BRD4
SCHEMBL16089604 0.83 SOD3 (0.33) P2RX7CREBBP
Hydrochloric Acid SCHEMBL16035465 0.82 SOD3 (0.35) CREBBP
SCHEMBL16089624 0.79 P2RX7 (0.47) P2RX7PARP10PARP11
Hydrochloric Acid SCHEMBL16037648 0.78 P2RX7 (0.46) P2RX7PARP10PARP11
SCHEMBL16089630 0.77 — —
Hydrochloric Acid SCHEMBL16036233 0.76 — —
SCHEMBL10801866 0.73 HTR7 (0.54) —
Hydrochloric Acid SCHEMBL31163291 0.73 HTR2A (0.46) —
SCHEMBL19358374 0.71 HTR7 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820770-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-11820770-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-20220213095-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-07-07 — — US disclosed
US-11225478-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2022-01-18 — — US disclosed
US-20200325138-A1 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-15 — — US disclosed
US-10703749-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-07-07 — — US disclosed
EP-3495365-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 — — EP disclosed
US-20190092770-A1 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2019-03-28 — — US disclosed
EP-2970267-B3 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-30 — — EP disclosed
EP-3239151-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2017-11-01 — — EP disclosed
US-9464084-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2016-10-11 — — US disclosed
US-20160039809-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-11 — — US disclosed
US-20160039809-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-11 — — US disclosed
US-20150322062-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-11-12 — — US disclosed
US-20150322062-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-11-12 — — US disclosed
US-9066946-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-30 — — US disclosed
US-9066946-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-30 — — US disclosed
WO-2014152604-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 — — WO disclosed
US-20140275015-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 — — US disclosed
US-20140275015-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 (9 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-20200325138-A1 P2X7 Modulators P2RX2, P2RX7, P2RY2 P2RX7 2/4885PARP10 2446/4885PARP11 2493/4885
US-20190092770-A1 P2X7 Modulators P2RX2, P2RX7, P2RY2 P2RX7 2/4885PARP10 2446/4885PARP11 2493/4885
US-11225478-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 P2RX7 2/4885PARP10 2446/4885PARP11 2493/4885
US-20160039809-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RX5 P2RX7 2/4885PARP10 2444/4885PARP11 2502/4885
US-20150322062-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 P2RX7 2/4885PARP10 2446/4885PARP11 2493/4885
US-11820770-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 P2RX7 2/4885PARP10 2446/4885PARP11 2493/4885
US-20220213095-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 P2RX7 2/4885PARP10 2446/4885PARP11 2493/4885
US-10703749-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 P2RX7 2/4885PARP10 2446/4885PARP11 2493/4885
US-20140275015-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 P2RX7 2/4885PARP10 2446/4885PARP11 2493/4885

“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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