SCHEMBL17969097

SCHEMBL17969097

N#Cc1n[nH]nc1-c1cc(/C=C/c2ccc(F)cc2F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 8/20 0.47
▸ NFE2L2 Q16236 4/20 0.39
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ PHF8 Q9UPP1 1/20 0.33
▸ USP8 P40818 1/20 0.32
▸ USP7 Q93009 1/20 0.32
▸ USP47 Q96K76 1/20 0.32

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
SCHEMBL17969098 1.00 ERBB2 (0.47) ERBB2NFE2L2PTGS1PTGS2CYP1A1
SCHEMBL16399275 0.83 NFE2L2 (0.52) ERBB2NFE2L2PTGS1PTGS2HTR2A
SCHEMBL16399274 0.83 NFE2L2 (0.52) ERBB2NFE2L2PTGS1PTGS2HTR2A
SCHEMBL16399390 0.81 ERBB2 (0.45) ERBB2NFE2L2
SCHEMBL16399392 0.81 ERBB2 (0.45) ERBB2NFE2L2
SCHEMBL31622851 0.81 ERBB2 (0.45) ERBB2NFE2L2
SCHEMBL31622837 0.81 NFE2L2 (0.39) NFE2L2PTGS1PTGS2CYP1A1CYP1B1
SCHEMBL16398939 0.81 NFE2L2 (0.39) NFE2L2PTGS1PTGS2CYP1A1CYP1B1
SCHEMBL16398940 0.81 NFE2L2 (0.39) NFE2L2PTGS1PTGS2CYP1A1CYP1B1
SCHEMBL16399364 0.80 NFE2L2 (0.39) NFE2L2PTGS1PTGS2CYP1A1CYP1B1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 — — EP claimed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP claimed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — US claimed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US claimed
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 — — CN claimed
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 — — EP disclosed
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
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 — — CN 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 ERBB2 4040/4885NFE2L2 1380/4885PTGS1 2094/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ERBB2 4040/4885NFE2L2 1380/4885PTGS1 2094/4885

“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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