SCHEMBL16398985

SCHEMBL16398985

N#Cc1n[nH]nc1-c1cc(OCc2cc(C(F)(F)F)ccc2C(F)(F)F)cc(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.39
▸ ERBB2 P04626 8/20 0.36
▸ SRD5A1 P18405 1/20 0.35
▸ MPO P05164 1/20 0.33
▸ TRPA1 O75762 2/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ NR1H2 P55055 1/20 0.31
▸ QPCT Q16769 1/20 0.31
▸ PHF8 Q9UPP1 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
SCHEMBL16399312 0.86 ERBB2 (0.43) SRD5A2ERBB2SRD5A1NR1H2
SCHEMBL16399554 0.83 SRD5A2 (0.39) SRD5A2SRD5A1TRPA1SCN5ASCN9A
SCHEMBL16399733 0.83 SRD5A2 (0.39) SRD5A2SRD5A1TRPA1SCN5ASCN9A
SCHEMBL28321816 0.80 NOTUM (0.45) SRD5A2SRD5A1MPONR1H2QPCT
SCHEMBL28321766 0.77 SRD5A2 (0.43) SRD5A2SRD5A1NR1H2QPCT
SCHEMBL18004446 0.76 ESRRA (0.35) SRD5A2SRD5A1TRPA1SCN5ASCN9A
SCHEMBL28321728 0.74 SRD5A2 (0.42) SRD5A2SRD5A1NR1H2QPCT
SCHEMBL16399270 0.73 SRD5A2 (0.41) SRD5A2SRD5A1NR1H2QPCT
SCHEMBL16398931 0.73 SRD5A2 (0.39) SRD5A2SRD5A1NR1H2QPCT
SCHEMBL18004440 0.73 SRD5A2 (0.39) SRD5A2SRD5A1NR1H2QPCT

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 12 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
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 — — EP claimed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 — — WO 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
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 — — EP disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 — — WO 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 SRD5A2 937/4885ERBB2 4040/4885SRD5A1 764/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 SRD5A2 937/4885ERBB2 4040/4885SRD5A1 764/4885

“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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