SCHEMBL16094041

SCHEMBL16094041

C[C@H]1Cn2cnnc2-c2nnc(-c3cccc(C(F)(F)F)c3Cl)n21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.64

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
SCHEMBL16094279 0.79 P2RX7 (0.80) P2RX7
SCHEMBL16128132 0.78 P2RX7 (1.00) P2RX7
SCHEMBL16094122 0.78 P2RX7 (0.71) P2RX7
SCHEMBL16094297 0.78 P2RX7 (1.00) P2RX7
SCHEMBL16094035 0.77 P2RX7 (0.74) P2RX7
SCHEMBL16094443 0.77 P2RX7 (1.00) P2RX7
SCHEMBL16094080 0.77 P2RX7 (1.00) P2RX7
SCHEMBL16128029 0.76 P2RX7 (0.75) P2RX7
SCHEMBL16094272 0.76 P2RX7 (1.00) P2RX7
SCHEMBL16093799 0.76 P2RX7 (1.00) P2RX7

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-10053463-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2018-08-21 US claimed
US-20160016962-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-21 US claimed
EP-2970304-A1 P2X7 MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-01-20 EP claimed
WO-2014152537-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 WO claimed
US-10053463-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2018-08-21 US disclosed
US-20160016962-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-21 US disclosed
US-20160016962-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-21 US disclosed
US-20160016962-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-21 US disclosed
EP-2970304-A1 P2X7 MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-01-20 EP disclosed
WO-2014152537-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 WO disclosed
WO-2014152537-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 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 (2 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-20160016962-A1 P2X7 MODULATORS P2RX5, P2RX1, P2RX7 P2RX7 3/4885
US-10053463-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators HTR5A, P2RX5, P2RX3 P2RX7 4/4885

“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.