SCHEMBL18006207

SCHEMBL18006207

Cc1cc(COc2cc(-c3nn[nH]c3C#N)cc(C(F)(F)F)c2)nn1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MMP13 P45452 1/20 0.31
IDH1 O75874 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
SCHEMBL18006215 0.86 PTGS2 (0.38) POLBCTSK
SCHEMBL18006210 0.85 GRIN1 (0.36) POLBMMP13
SCHEMBL18006224 0.84 POLB (0.31) POLB
SCHEMBL18006209 0.83 ALDH1A1 (0.34) POLB
SCHEMBL18006398 0.82 CYP11B1 (0.37) POLBIDH1
SCHEMBL18006178 0.81 CTSS (0.33) CTSSCTSK
SCHEMBL18004083 0.80 SOD1 (0.37) CTSSCTSK
SCHEMBL18004910 0.79 CYP11B1 (0.41) CTSSCTSK
SCHEMBL18006201 0.79 KDM4E (0.33) POLB
SCHEMBL18003800 0.79 ALDH1A1 (0.35) CTSSCTSK

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 POLB 539/4885CTSS 2273/4885CTSK 2390/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 POLB 539/4885CTSS 2273/4885CTSK 2390/4885

“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.