SCHEMBL18005333

SCHEMBL18005333

CCc1oc(-c2cccc(C(F)(F)F)c2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
CTSK P43235 8/20 0.41
CTSS P25774 6/20 0.41
RAB9A P51151 3/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
UTRN P46939 1/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATR Q13535 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
KCNH2 Q12809 5/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
MAPK14 Q16539 1/20 0.35

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
SCHEMBL18005318 0.92 CTSK (0.47) NOTUMCTSKCTSSRAB9AHTT
SCHEMBL18005263 0.91 NOTUM (0.42) NOTUMCTSKCTSSRAB9AHTT
SCHEMBL18005380 0.89 CTSS (0.40) NOTUMCTSKCTSSRAB9AHTT
SCHEMBL18005441 0.88 MAPT (0.46) NOTUMCTSKCTSSRAB9AHTT
SCHEMBL18005502 0.87 NOTUM (0.37) NOTUMCTSKCTSSRAB9ANPC1
SCHEMBL18005488 0.86 NOTUM (0.41) NOTUMCTSKCTSSRAB9AHTT
SCHEMBL18005256 0.86 NOTUM (0.41) NOTUMCTSKCTSSRAB9AHTT
SCHEMBL18005453 0.85 CTSS (0.44) CTSKCTSSRAB9ANPC1TDP1
SCHEMBL18005361 0.84 ALOX15 (0.46) NOTUMCTSKCTSSRAB9ANPC1
SCHEMBL18005596 0.82 RAB9A (0.43) NOTUMCTSKCTSSRAB9AHTT

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

“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.