SCHEMBL18003754

SCHEMBL18003754

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.45
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ADORA1 P30542 3/20 0.41
CTSA P10619 1/20 0.40
ADORA2A P29274 1/20 0.40
NOTUM Q6P988 1/20 0.38
TRPA1 O75762 2/20 0.38
KDM5A P29375 1/20 0.38
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
OTUD7B Q6GQQ9 1/20 0.36
XDH P47989 1/20 0.35
GCGR P47871 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
HSD11B1 P28845 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
ATR Q13535 1/20 0.35
FNTA P49354 1/20 0.35

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
SCHEMBL18003861 0.93 USP7 (0.48) USP7CTSSCTSKADORA1ADORA2A
SCHEMBL18006151 0.91 USP7 (0.53) USP7CTSSCTSKADORA1ADORA2A
SCHEMBL18004343 0.90 USP7 (0.46) USP7CTSSCTSKADORA1CTSA
SCHEMBL18003762 0.89 USP7 (0.45) USP7CTSSCTSKADORA1ADORA2A
SCHEMBL18003947 0.89 USP7 (0.45) USP7CTSSCTSKADORA1ADORA2A
SCHEMBL18003769 0.89 USP7 (0.45) USP7CTSSCTSKADORA1ADORA2A
SCHEMBL18004359 0.88 USP7 (0.44) USP7CTSSCTSKADORA1ADORA2A
SCHEMBL16399424 0.88 TRPA1 (0.42) ADORA1NOTUMTRPA1SCN5ASCN9A
SCHEMBL18004248 0.88 USP7 (0.49) USP7CTSSCTSKADORA1ADORA2A
SCHEMBL18004354 0.87 USP7 (0.44) USP7CTSSCTSKADORA1CTSA

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 3039/4885CTSS 2273/4885CTSK 2390/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 USP7 3039/4885CTSS 2273/4885CTSK 2390/4885

“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.