SCHEMBL18006178

SCHEMBL18006178

Cc1nc(COc2cc(-c3nn[nH]c3C#N)cc(C(F)(F)F)c2)cs1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
AR P10275 1/20 0.33
TACR1 P25103 1/20 0.32
CHEK1 O14757 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2B P41595 1/20 0.31
MAPT P10636 1/20 0.31
NMT1 P30419 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
XDH P47989 1/20 0.30

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
SCHEMBL18004907 0.87 GRM5 (0.34) CHEK1HTR2AHTR2CSLC6A4HTR2B
SCHEMBL18006195 0.86 PPARG (0.42) MAPTPPARGPPARA
SCHEMBL18006188 0.84 RHOC (0.43) PPARGPPARA
SCHEMBL18006245 0.83 PRMT6 (0.42) CTSSCTSKMAPT
SCHEMBL18006221 0.83 KDM4E (0.40) SLC6A4MAPTPPARGPPARA
SCHEMBL18006412 0.82 CHEK1 (0.42) CHEK1HTR2AHTR2CSLC6A4HTR2B
SCHEMBL18006207 0.81 POLB (0.33) CTSSCTSK
SCHEMBL18004083 0.80 SOD1 (0.37) CTSSCTSKTACR1XDH
SCHEMBL18004910 0.79 CYP11B1 (0.41) CTSSCTSKTACR1CHEK1HTR2A
SCHEMBL18003800 0.79 ALDH1A1 (0.35) CTSSCTSKMAPTXDH

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 2390/4885AR 3449/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CTSS 2273/4885CTSK 2390/4885AR 3449/4885

“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.