SCHEMBL10055331

SCHEMBL10055331

COc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(F)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.82

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
SCHEMBL12046388 0.92 P2RX3 (0.83) P2RX3
SCHEMBL9983442 0.90 P2RX3 (1.00) P2RX3
SCHEMBL12046373 0.89 P2RX3 (0.86) P2RX3
SCHEMBL12046448 0.89 P2RX3 (0.84) P2RX3
SCHEMBL12046392 0.89 P2RX3 (0.81) P2RX3
SCHEMBL12046382 0.89 P2RX3 (0.80) P2RX3
SCHEMBL12046252 0.89 P2RX3 (1.00) P2RX3
SCHEMBL10056831 0.88 P2RX3 (0.64) P2RX3
SCHEMBL12046390 0.88 P2RX3 (0.77) P2RX3
SCHEMBL17590244 0.87 P2RX3 (0.76) P2RX3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718790-B2 Triazine derivative and pharmaceutical composition having an analgesic activity comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-01 US disclosed
US-9718790-B2 Triazine derivative and pharmaceutical composition having an analgesic activity comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-01 US disclosed
US-9688643-B2 Triazine derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2017-06-27 US disclosed
US-9688643-B2 Triazine derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2017-06-27 US disclosed
US-20160185736-A1 NOVEL, TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. 2016-06-30 US disclosed
US-20160185736-A1 NOVEL, TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. 2016-06-30 US disclosed
EP-2604595-B1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY SHIONOGI & CO (JP) 2016-03-16 EP disclosed
US-9150546-B2 Triazine derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150546-B2 Triazine derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
WO-2012020749-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY 塩野義製薬株式会社 (JP) 2012-02-16 WO disclosed
US-20110319414-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2011-12-29 US disclosed
US-20110319414-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2011-12-29 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 (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-20160185736-A1 NOVEL, TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX5, P2RX2 P2RX3 1/4885
US-20110319414-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX5, P2RX2 P2RX3 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.