SCHEMBL1936378

SCHEMBL1936378

Nc1ccnc(Nc2ccc(CCNC(=O)O)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.51
KCNH2 Q12809 9/20 0.49
SCN5A Q14524 9/20 0.49
AURKA O14965 2/20 0.43
SYK P43405 1/20 0.42
IKBKB O14920 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL3226666 0.87 SCN9A (0.54) SCN9AKCNH2SCN5AAURKAIKBKB
SCHEMBL12354928 0.83 IGF1R (0.49) SCN9AKCNH2SCN5A
SCHEMBL1935543 0.80 ROCK1 (0.58) SCN9AKCNH2AURKA
SCHEMBL12346572 0.79 SCN9A (0.60) SCN9AKCNH2SCN5ASYK
SCHEMBL1936787 0.76 SCN9A (0.45) SCN9AKCNH2SCN5AAURKASYK
SCHEMBL12346576 0.76 SCN9A (0.64) SCN9AKCNH2SCN5AAURKASYK
SCHEMBL1934601 0.75 SCN9A (0.49) SCN9AKCNH2SCN5AAURKAIKBKB
SCHEMBL7158982 0.74 CA12 (0.51)
SCHEMBL14311357 0.74 IGF1R (0.63) SYKIKBKB
SCHEMBL12346555 0.72 SCN9A (0.59) SCN9AKCNH2SCN5ASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 SCN9A 1141/4885KCNH2 148/4885SCN5A 1356/4885

“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.