SCHEMBL2715430

SCHEMBL2715430

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc(NC(=O)C2CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.45
LCK P06239 1/20 0.45
IGF1R P08069 1/20 0.45
EIF2AK2 P19525 1/20 0.45
SYK P43405 1/20 0.45
BMX P51813 1/20 0.45
TACR1 P25103 4/20 0.45
MLYCD O95822 1/20 0.44
MTOR P42345 1/20 0.42
CCR2 P41597 3/20 0.42
MAOB P27338 1/20 0.41
P2RX1 P51575 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
BRAF P15056 4/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAF1 P04049 3/20 0.41
DHFR P00374 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
SCHEMBL2712837 0.94 KDR (0.44) AURKALCKIGF1REIF2AK2SYK
SCHEMBL2715356 0.91 AURKA (0.52) AURKALCKIGF1REIF2AK2SYK
SCHEMBL2715917 0.84 NR3C2 (0.48) BRAF
SCHEMBL2715450 0.84 POLB (0.46) AURKALCKIGF1REIF2AK2SYK
SCHEMBL2715111 0.83 TACR1 (0.49) TACR1MLYCDMTORCCR2MAOB
SCHEMBL2716082 0.83 EPHX2 (0.47) AURKALCKIGF1REIF2AK2SYK
SCHEMBL2714068 0.83 P2RX7 (0.47) BRAF
SCHEMBL2716643 0.82 ALDH1A1 (0.43) LMNAGAA
SCHEMBL2716987 0.81 BRAF (0.44) IGF1RBRAF
SCHEMBL2718638 0.81 EPHX2 (0.42) IGF1RBRAF

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 AURKA 4590/4885LCK 649/4885IGF1R 4307/4885

“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.