SCHEMBL9972032

SCHEMBL9972032

Cc1cccc(C(=O)N2CCn3c(nnc3-c3ccccn3)C2)c1Cl

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.83
TACR3 P29371 8/20 0.68
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL108555 0.91 P2RX7 (1.00) P2RX7TACR3
SCHEMBL9972034 0.88 P2RX7 (0.84) P2RX7
SCHEMBL9930904 0.87 P2RX7 (0.86) P2RX7TACR3CYP1A2CYP2D6CYP2C9
SCHEMBL109149 0.86 P2RX7 (1.00) P2RX7
SCHEMBL108029 0.84 P2RX7 (0.78) P2RX7TACR3CYP1A2CYP2D6CYP2C9
SCHEMBL9972031 0.84 P2RX7 (0.84) P2RX7
SCHEMBL2563292 0.83 P2RX7 (0.73) P2RX7TACR3CYP1A2CYP2D6CYP2C9
SCHEMBL111559 0.83 P2RX7 (0.79) P2RX7TACR3CYP1A2CYP2D6CYP2C9
SCHEMBL9931125 0.82 TACR3 (0.70) P2RX7TACR3CYP1A2CYP2D6CYP2C9
SCHEMBL108861 0.82 P2RX7 (0.79) P2RX7TACR3CYP1A2CYP2D6CYP2C9

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 1/4885TACR3 94/4885CYP1A2 1628/4885

“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.