SCHEMBL17969166

SCHEMBL17969166

N#Cc1nn[nH]c1-c1cccc(COc2cc(C(F)(F)F)ccn2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 7/20 0.39
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ FFAR1 O14842 4/20 0.37
▸ CTSS P25774 2/20 0.36
▸ CTSK P43235 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ AGXT P21549 1/20 0.35
▸ MAOB P27338 1/20 0.34

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
SCHEMBL16399630 0.85 MRGPRX4 (0.40) MRGPRX4CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL17969176 0.81 MRGPRX4 (0.43) MRGPRX4KDM4EFFAR1CTSSCTSK
SCHEMBL16399370 0.80 CTSK (0.45) KDM4ECTSSCTSK
SCHEMBL28321776 0.77 MRGPRX4 (0.45) MRGPRX4FFAR1AGXTMAOB
SCHEMBL28320601 0.76 MRGPRX4 (0.46) MRGPRX4AGXTMAOB
SCHEMBL31622857 0.75 CTSS (0.36) KDM4ECTSSCTSKMEN1TNF
SCHEMBL16399407 0.75 CYP11B1 (0.39) MRGPRX4CYP11B1CYP11B2KDM4ECTSS
SCHEMBL17969168 0.75 CTSS (0.36) KDM4ECTSSCTSKMEN1TNF
SCHEMBL17969167 0.75 CTSS (0.36) KDM4ECTSSCTSKMEN1TNF
SCHEMBL16398186 0.73 NR1H2 (0.40) CYP11B1KDM4EFFAR1CTSSCTSK

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 MRGPRX4 4062/4885CYP11B1 126/4885CYP11B2 227/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MRGPRX4 4062/4885CYP11B1 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.

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