SCHEMBL21945191

SCHEMBL21945191

C/N=C/c1[nH]nnc1-c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCC8 Q09428 1/20 0.42
▸ KCNJ11 Q14654 1/20 0.42
▸ SLC9A5 Q14940 1/20 0.33
▸ IL1B P01584 2/20 0.33
▸ TRPV3 Q8NET8 2/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ HCAR1 Q9BXC0 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30
▸ CRHR1 P34998 1/20 0.30
▸ NLRP3 Q96P20 1/20 0.30
▸ METAP2 P50579 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
SCHEMBL21944756 0.90 ABCC8 (0.32) ABCC8KCNJ11IL1BCES2HSD11B1
SCHEMBL21945754 0.85 KIF11 (0.38) —
SCHEMBL21945123 0.78 TRPA1 (0.44) HSD11B1
SCHEMBL26070335 0.76 QPCT (0.32) —
SCHEMBL21945111 0.76 ROCK2 (0.35) —
SCHEMBL21945709 0.74 MPL (0.42) TRPV3
SCHEMBL21945716 0.73 PGR (0.34) —
SCHEMBL21945193 0.72 SLC6A2 (0.36) METAP2
SCHEMBL21945039 0.72 CTSS (0.43) —
SCHEMBL21944826 0.72 PRF1 (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 ABCC8 2872/4885KCNJ11 1339/4885SLC9A5 1283/4885

“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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