SCHEMBL21945111

SCHEMBL21945111

C/N=C/c1[nH]nnc1-c1cccn1Cc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ CSNK1G2 P78368 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ C5AR1 P21730 8/20 0.32
▸ POLQ O75417 5/20 0.31

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
SCHEMBL21944841 0.92 C5AR1 (0.32) C5AR1
SCHEMBL21944845 0.85 KDM4E (0.39) MAPK1CLK2GSK3A
SCHEMBL21945145 0.84 ALDH1A1 (0.41) —
SCHEMBL21945136 0.84 KDM4E (0.40) —
SCHEMBL16402712 0.81 ROCK2 (0.36) ROCK2PRKACARPS6KB1MAPK1CLK2
SCHEMBL21945242 0.78 KDM4E (0.41) —
SCHEMBL21945146 0.77 HDAC3 (0.37) —
SCHEMBL21945191 0.76 ABCC8 (0.42) —
SCHEMBL21945238 0.75 CYP11B1 (0.34) MAPK1
SCHEMBL21945142 0.75 CYP11B1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
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 ROCK2 4128/4885PRKACA 1626/4885RPS6KB1 3050/4885

“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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