SCHEMBL18004377

SCHEMBL18004377

N#Cc1[nH]nnc1-c1cc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.38
▸ CTSK P43235 1/20 0.38
▸ DAO P14920 1/20 0.34
▸ XDH P47989 1/20 0.33
▸ RXRA P19793 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ IKBKB O14920 1/20 0.31
▸ IDO1 P14902 2/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ NAAA Q02083 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL18004000 0.92 CTSS (0.43) CTSSCTSKXDHRXRARXRG
SCHEMBL18004159 0.91 NOTUM (0.38) CTSSCTSKDAONOTUMIKBKB
SCHEMBL18004264 0.90 RXRA (0.36) CTSSCTSKDAORXRARXRG
SCHEMBL18004161 0.89 CNR1 (0.35) CTSSCTSKRXRARXRGNOTUM
SCHEMBL18004375 0.89 MEN1 (0.37) CTSSCTSKDAOTACR1CYP1A2
SCHEMBL18004247 0.85 GPR52 (0.35) NOTUM
SCHEMBL18004391 0.85 QPCT (0.33) CTSSCTSK
SCHEMBL18003937 0.85 IDO1 (0.34) CTSSCTSKDAOIDO1
SCHEMBL18004380 0.85 LTA4H (0.35) TACR1
SCHEMBL18003856 0.84 CTSS (0.38) CTSSCTSKXDHRXRARXRG

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 CTSS 2273/4885CTSK 2390/4885DAO 732/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CTSS 2273/4885CTSK 2390/4885DAO 732/4885

“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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