SCHEMBL21783480

SCHEMBL21783480

COc1ccc(CN(Sc2ccc(NCc3c(F)cccc3CN(C)C(C)(C)C)c(C)n2)c2cccc(F)n2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 20/20 0.51
SCN1A P35498 19/20 0.51
SCN5A Q14524 19/20 0.51
NR1I2 O75469 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SCN1B Q07699 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36

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
SCHEMBL21783478 0.83 SCN8A (0.60) SCN8ASCN1ASCN5ANR1I2CYP1A2
SCHEMBL21783395 0.80 KMT2A (0.36) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21783508 0.76 SCN1A (0.52) SCN8ASCN1ASCN5A
SCHEMBL21783379 0.75 SCN8A (0.68) SCN8ASCN1ASCN5ANR1I2CYP1A2
SCHEMBL21783444 0.73 KMT2A (0.37) CYP1A2CYP3A4CYP2D6CYP2C19KCNH2
SCHEMBL20256542 0.72 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21783377 0.72 MEN1 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20256961 0.72 SCN1A (0.50) SCN8ASCN1ASCN5A
SCHEMBL21794007 0.72 GAA (0.42) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20256738 0.71 CYP1A2 (0.39) SCN8ASCN1ASCN5ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020047323-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2020-03-05 WO disclosed
US-20160220564-A1 SUBSTITUTUED QUINOXALINES AS FGFR KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2016-08-04 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-20160220564-A1 SUBSTITUTUED QUINOXALINES AS FGFR KINASE INHIBITORS FGFR1, FGFR3, FGFR4 SCN8A 3880/4885SCN1A 3289/4885SCN5A 2153/4885

“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.