SCHEMBL2714946

SCHEMBL2714946

CC(NC(=O)c1ccnc(NC(=O)C2CC2)n1)c1ccc(OCC(F)(F)F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.43
GSK3B P49841 6/20 0.42
GSK3A P49840 5/20 0.42
CNR2 P34972 3/20 0.40
TYK2 P29597 1/20 0.40
IDH1 O75874 2/20 0.39
AAK1 Q2M2I8 2/20 0.39
KCNB1 Q14721 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2716554 0.89 PDE2A (0.44) PDE2AGSK3BGSK3ACNR2MEN1
SCHEMBL2715541 0.89 ACACB (0.43) PDE2ATYK2IDH1AAK1KCNB1
SCHEMBL2714887 0.88 IDH1 (0.49) PDE2AGSK3BGSK3ACNR2TYK2
SCHEMBL2713130 0.86 HPGD (0.47) PDE2AGSK3BCNR2LMNA
SCHEMBL2714859 0.85 IDH1 (0.49) PDE2AGSK3BGSK3ACNR2IDH1
SCHEMBL2716789 0.85 GSK3B (0.58) GSK3BGSK3ATYK2AAK1
SCHEMBL2714071 0.84 IDH1 (0.41) PDE2AGSK3BGSK3ACNR2IDH1
SCHEMBL2718537 0.83 PDE2A (0.43) PDE2AGSK3BGSK3ACNR2TYK2
SCHEMBL2715512 0.82 GSK3B (0.43) GSK3BGSK3ACNR2IDH1AAK1
SCHEMBL2717415 0.82 GSK3B (0.44) PDE2AGSK3BGSK3ACNR2IDH1

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 PDE2A 447/4885GSK3B 4093/4885GSK3A 3959/4885

“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.