SCHEMBL18005509

SCHEMBL18005509

N#Cc1[nH]nnc1-c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.48
CTSK P43235 13/20 0.41
TRPV3 Q8NET8 2/20 0.38
KCNH2 Q12809 6/20 0.37
XDH P47989 1/20 0.37
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
SCN9A Q15858 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
SCHEMBL16398830 0.93 CTSS (0.59) CTSSCTSKKCNH2XDHCTSL
SCHEMBL16399530 0.85 CTSS (0.44) CTSSCTSKTRPV3KCNH2XDH
SCHEMBL18004000 0.83 CTSS (0.43) CTSSCTSKXDH
SCHEMBL18005568 0.83 PIM1 (0.32)
SCHEMBL18006037 0.83 CTSS (0.40) CTSSCTSKKCNH2
SCHEMBL18005634 0.83 CTSS (0.34) CTSSCTSK
SCHEMBL1250227 0.81 CTSS (0.49) CTSSCTSKKCNH2
SCHEMBL18003964 0.81 RXRA (0.41) CTSSCTSKKCNH2XDH
SCHEMBL18005560 0.81 TACR1 (0.37) CTSSCTSKTRPV3
SCHEMBL18005249 0.80 CTSS (0.44) CTSSCTSKKCNH2CTSLCTSB

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 2390/4885TRPV3 3303/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CTSS 2273/4885CTSK 2390/4885TRPV3 3303/4885

“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.