SCHEMBL9973667

SCHEMBL9973667

O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2C2CSC=N2)C1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.72

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
SCHEMBL107348 0.84 P2RX7 (1.00) P2RX7
SCHEMBL21253518 0.82 P2RX7 (0.96) P2RX7
SCHEMBL109691 0.82 P2RX7 (1.00) P2RX7
SCHEMBL108640 0.81 P2RX7 (1.00) P2RX7
SCHEMBL108582 0.80 P2RX7 (0.86) P2RX7
SCHEMBL108846 0.80 P2RX7 (1.00) P2RX7
SCHEMBL109182 0.79 P2RX7 (1.00) P2RX7
SCHEMBL108537 0.78 P2RX7 (1.00) P2RX7
SCHEMBL21253522 0.77 P2RX7 (0.76) P2RX7
SCHEMBL9930930 0.77 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 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 (1 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-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 P2RX7 1/4885

“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.