SCHEMBL6709167

SCHEMBL6709167

CC(C)Oc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)n(C)c12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
BRPF1 P55201 9/20 0.34
EIF4E P06730 2/20 0.34
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
TRPA1 O75762 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
UGCG Q16739 1/20 0.32
BRD4 O60885 2/20 0.32
ROCK2 O75116 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6711764 0.91 GCK (0.33) SCN2ASCN10ATRPA1LMNAMAPT
SCHEMBL6707800 0.88 NPSR1 (0.37) BRPF1RXFP1BRD4KDM4ELMNA
SCHEMBL6709856 0.88 RXFP1 (0.38) BRPF1RXFP1JAK2JAK1TYK2
SCHEMBL6707714 0.88 NR2E1 (0.35) TRPA1RXFP1ROCK2LMNAMAPT
SCHEMBL6708936 0.88 KDM1A (0.34) BRPF1RXFP1BRD4LMNAMAPT
SCHEMBL6710104 0.87 TRPA1 (0.33) TRPA1ROCK2LMNA
SCHEMBL6712448 0.87 KDM4E (0.36) KDM4ELMNAMAPT
SCHEMBL6710191 0.86 ALK (0.38) IRAK4TRPA1RXFP1JAK2JAK1
SCHEMBL6710200 0.86 ALK (0.38) IRAK4TRPA1RXFP1JAK2JAK1
SCHEMBL6709131 0.86 PPIA (0.39) RXFP1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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 (1 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 SCN2A 2643/4885SCN10A 2961/4885IRAK4 1592/4885

“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.