SCHEMBL2717448

SCHEMBL2717448

Cc1cc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)nc(NC(=O)C2CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
NAMPT P43490 1/20 0.41
JAK2 O60674 2/20 0.40
MMP13 P45452 4/20 0.40
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
KDR P35968 1/20 0.38
PTGES O14684 1/20 0.38
MEN1 O00255 1/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL2715111 0.94 TACR1 (0.49) TACR1KMT2ATSHRMMP13ALDH1A1
SCHEMBL2715671 0.86 KMT2A (0.59) TACR1KMT2ATSHRJAK2MMP13
SCHEMBL2712837 0.85 KDR (0.44) TACR1NAMPTJAK2CYP3A4ALDH1A1
SCHEMBL2715131 0.83 NAMPT (0.46) TACR1KMT2ATSHRNAMPTJAK2
SCHEMBL2718865 0.82 MMP13 (0.56) KMT2ATSHRMMP13RIPK1
SCHEMBL2713745 0.81 MMP13 (0.47) KMT2ATSHRJAK2MMP13ALDH1A1
SCHEMBL18266652 0.79 MMP13 (0.49) KMT2ATSHRJAK2MMP13SLC22A8
SCHEMBL2714734 0.79 EPHX2 (0.42) KMT2ATSHRMMP13KDRMEN1
SCHEMBL2718670 0.79 EPHX2 (0.50) KMT2ATSHRMMP13
SCHEMBL2716011 0.79 ALDH1A1 (0.40) KMT2ATSHRJAK2MMP13CYP3A4

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 TACR1 712/4885KMT2A 1036/4885TSHR 574/4885

“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.