SCHEMBL12045896

SCHEMBL12045896

COc1ccc(Cn2c(Nc3cccc(F)c3)nc(=O)n(Cc3ccccc3)c2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 16/20 0.64
▸ PROKR1 Q8TCW9 4/20 0.55
▸ PROKR2 Q8NFJ6 1/20 0.51

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
SCHEMBL10056023 0.90 PROKR1 (0.63) P2RX3PROKR1PROKR2
SCHEMBL10055349 0.89 P2RX3 (0.79) P2RX3
SCHEMBL12046033 0.87 P2RX3 (0.80) P2RX3
SCHEMBL12045898 0.87 P2RX3 (0.80) P2RX3
SCHEMBL10056259 0.87 P2RX3 (0.66) P2RX3PROKR1PROKR2
SCHEMBL12045892 0.85 P2RX3 (0.63) P2RX3PROKR1
SCHEMBL12046084 0.83 P2RX3 (0.80) P2RX3
SCHEMBL12045897 0.82 P2RX3 (0.61) P2RX3PROKR1
SCHEMBL12046070 0.82 P2RX3 (0.82) P2RX3
SCHEMBL17590291 0.82 P2RX3 (0.60) P2RX3PROKR1

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-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
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
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
EP-2399910-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Shionogi&Co., Ltd. (JP) 2011-12-28 — — EP 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 1/4885PROKR1 1163/4885PROKR2 1259/4885
US-20110319414-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX5, P2RX2 P2RX3 1/4885PROKR1 1270/4885PROKR2 1376/4885

“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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