SCHEMBL18006201

SCHEMBL18006201

Cn1nc(COc2cc(-c3nn[nH]c3C#N)cc(C(F)(F)F)c2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
NR1H2 P55055 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PRKDC P78527 1/20 0.31
GRM4 Q14833 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
SCHEMBL18006364 0.85 CYP11B1 (0.36) KDM4EALDH1A1CNR1CNR2NR1H2
SCHEMBL18006210 0.81 GRIN1 (0.36) POLB
SCHEMBL18006215 0.81 PTGS2 (0.38) KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL18004313 0.80 MAOB (0.39) NR1H2
SCHEMBL18004444 0.80 GRIN1 (0.37) KDM4ESMN1; SMN2
SCHEMBL18006186 0.79 CNR2 (0.37) POLBCNR1CNR2NR1H2SMN1; SMN2
SCHEMBL18006207 0.79 POLB (0.33) POLB
SCHEMBL18004114 0.79 KMT2A (0.40) KDM4ESMN1; SMN2
SCHEMBL18006229 0.78 SMN1; SMN2 (0.43) KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL18006233 0.78 SCN9A (0.32) POLB

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 KDM4E 2681/4885ALDH1A1 1611/4885POLB 539/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 KDM4E 2681/4885ALDH1A1 1611/4885POLB 539/4885

“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.