SCHEMBL18006233

SCHEMBL18006233

Cn1nc(C(F)(F)F)cc1-c1ccccc1COc1cc(-c2nn[nH]c2C#N)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.32
ERBB2 P04626 1/20 0.32
ERBB4 Q15303 1/20 0.32
MCL1 Q07820 1/20 0.32
PTGES O14684 1/20 0.32
CPB2 Q96IY4 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
STIM1 Q13586 1/20 0.30
ORAI1 Q96D31 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
SCHEMBL18006422 0.90 SCN9A (0.34) SCN9AMCL1PTGESCPB2STIM1
SCHEMBL18004444 0.82 GRIN1 (0.37) MCL1
SCHEMBL18004114 0.81 KMT2A (0.40) KMT2ABRD4
SCHEMBL18006215 0.81 PTGS2 (0.38) POLB
SCHEMBL18004407 0.81 MAOB (0.39) BRD4PRMT5
SCHEMBL16400186 0.80 CD274 (0.36) BRD4
SCHEMBL18006208 0.80 MCL1 (0.33) ERBB2ERBB4MCL1PTGESLMNA
SCHEMBL18004323 0.80 ALOX5AP (0.42) NPC1MAPTRAB9A
SCHEMBL26071061 0.79 ADORA2A (0.38) MCL1PTGESCPB2PRMT5WDR77
SCHEMBL18006241 0.79 KMT2A (0.38) MCL1POLBMEN1LMNAKMT2A

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 SCN9A 3205/4885ERBB2 4040/4885ERBB4 3565/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 SCN9A 3205/4885ERBB2 4040/4885ERBB4 3565/4885

“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.