SCHEMBL18004389

SCHEMBL18004389

N#Cc1[nH]nnc1-c1cc(/C=C/c2cccc(Cl)c2)cc(OC(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ GRIN2B Q13224 2/20 0.34
▸ RELA Q04206 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ TRPA1 O75762 2/20 0.33
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ ADORA1 P30542 2/20 0.31
▸ ADORA2A P29274 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
SCHEMBL16398797 0.92 CHEK1 (0.39) USP7CHEK1NOTUMKDM5ATRPA1
SCHEMBL16398795 0.92 CHEK1 (0.39) USP7CHEK1NOTUMKDM5ATRPA1
SCHEMBL18004421 0.92 USP7 (0.42) USP7CHEK1KDM5ATRPA1CTSS
SCHEMBL18004333 0.89 NFE2L2 (0.37) USP7CHEK1MAOAMAOBTRPA1
SCHEMBL18004394 0.85 MAOB (0.40) RELAMAOAMAOBADORA1ADORA2A
SCHEMBL18004400 0.85 NOTUM (0.37) NOTUMGRIN2BMAOBTRPA1SCN5A
SCHEMBL16398651 0.84 NQO2 (0.36) USP7CHEK1TRPA1CTSSCTSK
SCHEMBL16398652 0.84 NQO2 (0.36) USP7CHEK1TRPA1CTSSCTSK
SCHEMBL18004486 0.83 TRPA1 (0.32) USP7TRPA1CTSSCTSKSCN5A
SCHEMBL18004352 0.83 TRPA1 (0.34) USP7NOTUMTRPA1CTSSCTSK

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 4 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
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — 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 (2 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 USP7 3039/4885CHEK1 923/4885NOTUM 1379/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 USP7 3039/4885CHEK1 923/4885NOTUM 1379/4885

“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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