SCHEMBL16398992

SCHEMBL16398992

CC(C)(C)c1cc(-c2ccc(C(F)(F)F)cn2)cc(-c2nn[nH]c2C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CTSS P25774 5/20 0.35
▸ CTSK P43235 5/20 0.35
▸ KDM1A O60341 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ SMO Q99835 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ ALOX5AP P20292 2/20 0.31
▸ FEN1 P39748 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GRM2 Q14416 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
SCHEMBL18004610 0.93 KDM1A (0.38) NPSR1KDM4ECTSSCTSKKDM1A
SCHEMBL16399947 0.90 NPSR1 (0.37) NPSR1KDM4ECTSSCTSKKDM1A
SCHEMBL18004600 0.88 CTSS (0.36) NPSR1KDM4ECTSSCTSKKDM1A
SCHEMBL18004626 0.88 GRM5 (0.36) NPSR1KDM4ECTSSCTSKALDH1A1
SCHEMBL18004618 0.87 KDM1A (0.43) NPSR1KDM4ECTSSCTSKKDM1A
SCHEMBL18004602 0.87 NPSR1 (0.35) NPSR1KDM4ECTSSCTSKALDH1A1
SCHEMBL18004633 0.86 CTSS (0.39) NPSR1KDM4ECTSSCTSKKDM1A
SCHEMBL18004632 0.86 KDM4E (0.39) KDM4EALDH1A1KIF11KCNH2L3MBTL1
SCHEMBL18004624 0.86 MAPK1 (0.40) NPSR1KDM4ECTSSCTSKKDM1A
SCHEMBL18004668 0.86 KIF11 (0.42) NPSR1KDM4ECTSSCTSKKDM1A

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 9 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 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-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
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — 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 NPSR1 3939/4885KDM4E 2681/4885CTSS 2273/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NPSR1 3939/4885KDM4E 2681/4885CTSS 2273/4885

“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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