SCHEMBL18005249

SCHEMBL18005249

N#Cc1[nH]nnc1-c1coc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.44
NOTUM Q6P988 2/20 0.43
CTSK P43235 11/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 1/20 0.40
KCNH2 Q12809 6/20 0.40
ATR Q13535 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL18005505 0.86 S1PR1 (0.37) CTSSNOTUMCTSKRAB9ANPC1
SCHEMBL16398830 0.85 CTSS (0.59) CTSSCTSKKCNH2CTSLCTSB
SCHEMBL1250227 0.82 CTSS (0.49) CTSSNOTUMCTSKKCNH2KDM4E
SCHEMBL18005509 0.80 CTSS (0.48) CTSSCTSKKCNH2CTSLCTSB
SCHEMBL18003739 0.80 CTSS (0.47) CTSSNOTUMCTSKKCNH2KDM4E
SCHEMBL18005441 0.80 MAPT (0.46) CTSSNOTUMCTSKRAB9ANPC1
SCHEMBL16399460 0.79 CTSS (0.46) CTSSNOTUMCTSKKCNH2KDM4E
SCHEMBL18005596 0.79 RAB9A (0.43) CTSSNOTUMCTSKRAB9ANPC1
SCHEMBL18005263 0.79 NOTUM (0.42) CTSSNOTUMCTSKRAB9ANPC1
SCHEMBL18005585 0.79 LMNA (0.40) CTSSKDM4EL3MBTL1

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