SCHEMBL2715917

SCHEMBL2715917

O=C(NCc1ccc(F)c(C(F)(F)F)c1)c1ccnc(NC(=O)C2CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.48
MMP13 P45452 3/20 0.47
P2RX7 Q99572 3/20 0.46
GSK3B P49841 2/20 0.45
MAPK14 Q16539 1/20 0.45
KDR P35968 6/20 0.44
BRAF P15056 5/20 0.44
RIPK1 Q13546 1/20 0.42
RIPK3 Q9Y572 1/20 0.42
RPS6KB1 P23443 1/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP3 P08254 1/20 0.42
CTSD P07339 1/20 0.41
JAK2 O60674 1/20 0.40
MAPT P10636 1/20 0.40
GSK3A P49840 1/20 0.40

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
SCHEMBL2714068 0.90 P2RX7 (0.47) P2RX7KDRBRAF
SCHEMBL2716987 0.87 BRAF (0.44) MMP13GSK3BKDRBRAFCTSD
SCHEMBL2714443 0.86 KDR (0.47) P2RX7KDRBRAFRIPK1CTSD
SCHEMBL2718865 0.86 MMP13 (0.56) MMP13P2RX7RIPK1RIPK3ADAMTS4
SCHEMBL18266662 0.85 ERCC1 (0.39) MMP13GSK3BJAK2MAPTGSK3A
SCHEMBL2716902 0.84 P2RX7 (0.51) P2RX7KDRBRAFCTSDJAK2
SCHEMBL18266342 0.84 TYK2 (0.41) P2RX7KDRBRAFJAK2
SCHEMBL2715430 0.84 AURKA (0.45) BRAF
SCHEMBL2715356 0.83 AURKA (0.52) NR3C2MMP13BRAFRPS6KB1JAK2
SCHEMBL2715450 0.83 POLB (0.46) KDRBRAFRIPK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP claimed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US claimed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US claimed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP claimed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO claimed
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A NR3C2 1290/4885MMP13 4437/4885P2RX7 354/4885

“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.