SCHEMBL21945096

SCHEMBL21945096

C/N=C/c1[nH]nnc1-c1cc(Oc2cccc(Cl)c2)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.34
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ P2RY1 P47900 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ HAO1 Q9UJM8 1/20 0.31
▸ KIF11 P52732 1/20 0.30
▸ PSD A5PKW4 1/20 0.30
▸ EPAS1 Q99814 1/20 0.30

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
SCHEMBL21945094 0.89 TLR8 (0.34) ARTLR8
SCHEMBL21945696 0.89 NPSR1 (0.35) CYP2C9CYP2C19CYP1A2NPSR1L3MBTL1
SCHEMBL21945135 0.86 ADORA2A (0.42) CYP2C9CYP2C19CYP1A2NPSR1L3MBTL1
SCHEMBL21945093 0.83 ADORA2A (0.41) CYP2C9CYP2C19CYP1A2NPSR1L3MBTL1
SCHEMBL21945097 0.80 PRMT5 (0.38) ARCYP2C9CYP2C19CYP1A2NPSR1
SCHEMBL21945228 0.80 EGFR (0.40) CYP2C9CYP2C19CYP1A2NPSR1L3MBTL1
SCHEMBL18004307 0.79 AR (0.46) ARCYP2C9CYP2C19CYP1A2NPSR1
SCHEMBL21945193 0.77 SLC6A2 (0.36) ADORA2AKIF11
SCHEMBL21945754 0.76 KIF11 (0.38) ARCYP2C9CYP2C19CYP1A2NPSR1
SCHEMBL21945716 0.75 PGR (0.34) —

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 AR 3449/4885CYP2C9 1517/4885CYP2C19 1954/4885

“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.

Send feedback