SCHEMBL21945733

SCHEMBL21945733

C/N=C/c1[nH]nnc1-c1cccc(Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ PRMT8 Q9NR22 1/20 0.38
▸ HTR2C P28335 3/20 0.37
▸ HTR2B P41595 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ DAO P14920 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ PDE4B Q07343 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ MIF P14174 1/20 0.34
▸ MPO P05164 1/20 0.34

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
SCHEMBL21944766 0.94 PRMT6 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21945735 0.88 PRMT6 (0.34) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21945072 0.88 PRMT6 (0.34) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21945126 0.86 MAOB (0.46) POLB
SCHEMBL26070308 0.84 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL26070407 0.84 TOP2A (0.33) PRMT6PRMT8DAOTAAR1MIF
SCHEMBL21945120 0.83 ADORA2A (0.38) —
SCHEMBL21945135 0.82 ADORA2A (0.42) CYP1A2CYP3A4CYP2C9CYP2C19PRMT6
SCHEMBL26070427 0.82 TACR1 (0.38) —
SCHEMBL21945125 0.82 LTA4H (0.32) LTA4HDAO

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 CYP1A2 1825/4885CYP3A4 1816/4885CYP2D6 3454/4885

“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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