SCHEMBL18004372

SCHEMBL18004372

N#Cc1[nH]nnc1-c1cc(Cl)cc(-c2ccc(F)c(C(F)(F)F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
NOTUM Q6P988 3/20 0.37
KIF11 P52732 1/20 0.36
MPL P40238 3/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
TGFBR1 P36897 1/20 0.34
AR P10275 3/20 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
SCHEMBL18004284 0.91 NOTUM (0.47) CTSSCTSKNOTUMKDM4EALDH1A1
SCHEMBL18003774 0.90 CTSS (0.42) CTSSCTSKKIF11MPLALDH1A1
SCHEMBL18004340 0.89 CTSS (0.44) CTSSCTSKNOTUMKIF11MPL
SCHEMBL18003775 0.89 CTSS (0.45) CTSSCTSKNOTUMKIF11MPL
SCHEMBL18004077 0.88 CTSS (0.41) CTSSCTSKKIF11MPLKDM4E
SCHEMBL18004201 0.87 CYP11B1 (0.40) NOTUMCYP11B1CYP11B2
SCHEMBL18003750 0.84 KIF11 (0.41) CTSSCTSKNOTUMKIF11ALDH1A1
SCHEMBL18004453 0.84 AHR (0.35) CTSSCTSKKDM4EALDH1A1LMNA
SCHEMBL17969063 0.82 CTSK (0.34) CTSSCTSKNOTUMCYP11B1CYP11B2
SCHEMBL17969178 0.82 NOTUM (0.41) CTSSCTSKNOTUM

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 2390/4885NOTUM 1379/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CTSS 2273/4885CTSK 2390/4885NOTUM 1379/4885

“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.