SCHEMBL18003162

SCHEMBL18003162

CCOc1cc(C=O)cc(-c2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ PTGS2 P35354 3/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ ALPL P05186 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ PIK3CA P42336 2/20 0.37
▸ PI4KB Q9UBF8 2/20 0.37
▸ SYK P43405 2/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ MINK1 Q8N4C8 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PI4KA P42356 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36

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
SCHEMBL18003239 0.84 SYK (0.40) PTGS2PTGS1KCNH2PIK3CAPI4KB
SCHEMBL18003489 0.82 KCNH2 (0.38) PTGS2PTGS1ALPIKCNH2PIK3CA
SCHEMBL18003871 0.82 TRPV1 (0.37) KCNH2PIK3CAPI4KBSYKMAP4K4
SCHEMBL18003797 0.81 P2RX3 (0.38) PTGS2
SCHEMBL18003794 0.81 CHRNB2 (0.34) KCNH2PIK3CAPI4KBSYKMAP4K4
SCHEMBL16399058 0.80 PIK3CA (0.40) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL18003611 0.80 KCNH2 (0.37) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL18003165 0.80 P2RX3 (0.42) GRM5
SCHEMBL16398547 0.80 PTGS1 (0.41) PTGS1PIK3CAPI4KBSYKPIK3CD
SCHEMBL18003140 0.79 PDE10A (0.37) PTGS2KCNH2PIK3CAPI4KBMAP4K4

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 RXRA 3077/4885RXRB 2771/4885RXRG 3206/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 RXRA 3077/4885RXRB 2771/4885RXRG 3206/4885

“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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