SCHEMBL18004266

SCHEMBL18004266

N#Cc1[nH]nnc1-c1cc(C(F)(F)F)ccc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.36
▸ CTSK P43235 5/20 0.36
▸ METAP2 P50579 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ NLRP3 Q96P20 1/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ DGAT1 O75907 2/20 0.33
▸ SOAT1 P35610 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ XDH P47989 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MAP2K4 P45985 1/20 0.31
▸ MAPKAPK2 P49137 1/20 0.31
▸ MAPKAPK3 Q16644 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
SCHEMBL18004370 0.91 KIF11 (0.40) CTSSCTSKNLRP3PTGDR2DGAT1
SCHEMBL18004153 0.89 SMN1; SMN2 (0.41) CTSSCTSKMETAP2PTGDR2DGAT1
SCHEMBL18004367 0.86 CNR1 (0.42) CTSSCTSKPTGDR2DGAT1SOAT1
SCHEMBL18004995 0.84 TOP1 (0.36) NLRP3
SCHEMBL18004997 0.84 NPBWR1 (0.39) CTSSCTSKNLRP3PTGDR2DGAT1
SCHEMBL18004147 0.83 PTGDR2 (0.44) PTGDR2
SCHEMBL18004259 0.83 TRPA1 (0.40) PTGDR2DGAT1DHODH
SCHEMBL18004000 0.83 CTSS (0.43) CTSSCTSKMETAP2CYP1A2KIF11
SCHEMBL26070294 0.83 CTSK (0.37) CTSSCTSKMETAP2CYP1A2XDH
SCHEMBL18003480 0.83 ABCC8 (0.44) CTSSCTSKMETAP2NLRP3DGAT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2390/4885METAP2 2789/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CTSS 2273/4885CTSK 2390/4885METAP2 2789/4885

“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.

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