SCHEMBL17701614

SCHEMBL17701614

CC(=O)[C@@H](C)Cn1c(=O)[nH]/c(=N\c2ccc(Oc3ccc(OC(F)F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.58

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
SCHEMBL17689804 0.94 P2RX3 (0.66) P2RX3
SCHEMBL17701618 0.94 P2RX3 (0.58) P2RX3
SCHEMBL17701725 0.92 P2RX3 (0.68) P2RX3
SCHEMBL19231956 0.92 P2RX3 (0.68) P2RX3
SCHEMBL17701613 0.90 P2RX3 (0.55) P2RX3
SCHEMBL17701617 0.88 P2RX3 (0.53) P2RX3
SCHEMBL16310007 0.88 P2RX3 (0.66) P2RX3
SCHEMBL17701616 0.88 P2RX3 (0.54) P2RX3
SCHEMBL16309726 0.87 P2RX3 (0.63) P2RX3
SCHEMBL16310006 0.86 P2RX3 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362199-A1 AMINOTRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2017-12-21 — — US disclosed
US-9732060-B2 Aminotriazine derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-15 — — US disclosed
US-20160115151-A1 AMINOTRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2016-04-28 — — 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-20160115151-A1 AMINOTRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 P2RX3 1/4885
US-20170362199-A1 AMINOTRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 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.

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