SCHEMBL16398780

SCHEMBL16398780

N#Cc1n[nH]nc1-c1cccc(C=Cc2ccc(F)c(C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 8/20 0.46
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33
▸ APP P05067 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ MPL P40238 2/20 0.32
▸ PHF8 Q9UPP1 2/20 0.32
▸ P4HB P07237 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ USP20 Q9Y2K6 1/20 0.31

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
SCHEMBL16398778 1.00 ERBB2 (0.46) ERBB2PRMT6PRMT8APPNFE2L2
SCHEMBL16399521 0.85 ERBB2 (0.49) ERBB2PRMT6PRMT8NFE2L2CTSS
SCHEMBL16399518 0.85 ERBB2 (0.49) ERBB2PRMT6PRMT8NFE2L2CTSS
SCHEMBL16400546 0.84 ERBB2 (0.48) ERBB2NFE2L2PHF8GAAUSP20
SCHEMBL16400543 0.84 ERBB2 (0.48) ERBB2NFE2L2PHF8GAAUSP20
SCHEMBL16399018 0.84 ERBB2 (0.47) ERBB2APPNFE2L2PHF8USP20
SCHEMBL16399020 0.84 ERBB2 (0.47) ERBB2APPNFE2L2PHF8USP20
SCHEMBL16399536 0.84 ERBB2 (0.50) ERBB2PRMT6PRMT8NFE2L2CTSS
SCHEMBL17969159 0.84 ERBB2 (0.50) ERBB2PRMT6PRMT8NFE2L2CTSS
SCHEMBL16399516 0.83 ERBB2 (0.61) ERBB2NFE2L2USP20

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
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 ERBB2 4040/4885PRMT6 1419/4885PRMT8 1701/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ERBB2 4040/4885PRMT6 1419/4885PRMT8 1701/4885

“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.

Send feedback