SCHEMBL16398781

SCHEMBL16398781

N#Cc1n[nH]nc1-c1cccc(C=Cc2cncc(C(F)(F)F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 8/20 0.45
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ CTSS P25774 3/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ CTSK P43235 2/20 0.34
▸ DYRK1A Q13627 1/20 0.33
▸ DYRK2 Q92630 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ APP P05067 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33

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
SCHEMBL16398777 1.00 ERBB2 (0.45) ERBB2CYP11B1CYP11B2CTSSNFE2L2
SCHEMBL16399536 0.90 ERBB2 (0.50) ERBB2CTSSNFE2L2CTSKIDO1
SCHEMBL17969159 0.90 ERBB2 (0.50) ERBB2CTSSNFE2L2CTSKIDO1
SCHEMBL16399518 0.86 ERBB2 (0.49) ERBB2CTSSNFE2L2CTSKPRMT6
SCHEMBL16399521 0.86 ERBB2 (0.49) ERBB2CTSSNFE2L2CTSKPRMT6
SCHEMBL16399271 0.85 ERBB2 (0.46) ERBB2CTSSNFE2L2CTSKPRMT6
SCHEMBL16399272 0.85 ERBB2 (0.46) ERBB2CTSSNFE2L2CTSKPRMT6
SCHEMBL16399390 0.83 ERBB2 (0.45) ERBB2CTSSNFE2L2CTSKIDO1
SCHEMBL16399392 0.83 ERBB2 (0.45) ERBB2CTSSNFE2L2CTSKIDO1
SCHEMBL31622851 0.83 ERBB2 (0.45) ERBB2CTSSNFE2L2CTSKIDO1

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 ERBB2 4040/4885CYP11B1 126/4885CYP11B2 227/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ERBB2 4040/4885CYP11B1 126/4885CYP11B2 227/4885

“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