SCHEMBL21944776

SCHEMBL21944776

C/N=C/c1[nH]nnc1-c1ccc(OCc2cccc(C(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 18/20 0.48
▸ S1PR1 P21453 1/20 0.41
▸ S1PR5 Q9H228 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41

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
SCHEMBL21945126 0.85 MAOB (0.46) MRGPRX4
SCHEMBL21945228 0.84 EGFR (0.40) MRGPRX4
SCHEMBL21945219 0.83 MRGPRX4 (0.40) MRGPRX4
SCHEMBL26070378 0.83 MRGPRX4 (0.43) MRGPRX4SLC6A4
SCHEMBL18004277 0.81 MRGPRX4 (0.57) MRGPRX4S1PR1S1PR5SLC6A4
SCHEMBL21945733 0.80 CYP1A2 (0.38) —
SCHEMBL21944766 0.76 PRMT6 (0.33) —
SCHEMBL26070417 0.75 CYP11B1 (0.34) MRGPRX4
SCHEMBL21945135 0.74 ADORA2A (0.42) —
SCHEMBL26070427 0.74 TACR1 (0.38) —

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-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 MRGPRX4 4062/4885S1PR1 3124/4885S1PR5 3686/4885

“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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