SCHEMBL21945136

SCHEMBL21945136

C/N=C/c1[nH]nnc1-c1cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ NTRK1 P04629 1/20 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
SCHEMBL21945145 0.92 ALDH1A1 (0.41) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL21944845 0.90 KDM4E (0.39) KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL21944838 0.84 DBH (0.34) KDM4EALDH1A1GAAMAPTATM
SCHEMBL21945142 0.84 CYP11B1 (0.34) MAPT
SCHEMBL21945111 0.84 ROCK2 (0.35) —
SCHEMBL21944841 0.84 C5AR1 (0.32) —
SCHEMBL21945238 0.83 CYP11B1 (0.34) KDM4EHTTALDH1A1GAAMAPT
SCHEMBL21945146 0.83 HDAC3 (0.37) ALDH1A1GAAHSP90AA1HSP90AB1MAPT
SCHEMBL21945141 0.81 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21945240 0.81 ATM (0.41) KDM4ESMN1; SMN2HTTALDH1A1GAA

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 KDM4E 2681/4885SMN1; SMN2 3834/4885HTT 1138/4885

“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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