SCHEMBL18005000

SCHEMBL18005000

CCCc1sc(-c2ccc(C(F)(F)F)cc2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.42
▸ CTSK P43235 3/20 0.42
▸ CDC25B P30305 4/20 0.39
▸ DUSP3 P51452 4/20 0.39
▸ PTPN1 P18031 3/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ PPARD Q03181 5/20 0.35
▸ PPARA Q07869 4/20 0.35
▸ PPARG P37231 3/20 0.35
▸ FFAR1 O14842 3/20 0.35
▸ MYC P01106 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
SCHEMBL18005047 0.91 NPC1 (0.38) CTSSCTSKNPC1ALDH1A1GAA
SCHEMBL16398345 0.88 CTSK (0.47) CTSSCTSKALDH1A1MAPTMEN1
SCHEMBL16399195 0.86 HTT (0.46) CDC25BDUSP3PTPN1ALDH1A1KDM4E
SCHEMBL26070433 0.85 NPC1 (0.38) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL16399216 0.84 NPC1 (0.42) CTSSCTSKNPC1ALDH1A1GAA
SCHEMBL18005085 0.82 MAPT (0.42) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL18005008 0.82 NPC1 (0.37) CTSSCTSKNPC1ALDH1A1GAA
SCHEMBL18005034 0.82 NPC1 (0.38) CTSSCTSKNPC1ALDH1A1GAA
SCHEMBL26070434 0.81 DCK (0.33) CTSSCTSKCDC25BDUSP3PTPN1
SCHEMBL18005057 0.81 HTT (0.37) CTSSCTSKCDC25BDUSP3PTPN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US 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 CTSS 2273/4885CTSK 2390/4885CDC25B 533/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CTSS 2273/4885CTSK 2390/4885CDC25B 533/4885

“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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