SCHEMBL1934601

SCHEMBL1934601

CC(C)(C)N(Cc1ccc(Nc2nccc(N)n2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.49
KCNH2 Q12809 9/20 0.48
SCN5A Q14524 9/20 0.48
AURKA O14965 3/20 0.41
IKBKB O14920 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
EGFR P00533 1/20 0.39
ITK Q08881 1/20 0.39
AURKB Q96GD4 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 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
SCHEMBL1936787 0.91 SCN9A (0.45) SCN9AKCNH2SCN5AAURKA
SCHEMBL2281702 0.83 IKBKB (0.46) AURKAIKBKBMAPK8MAPK10AURKB
SCHEMBL2288810 0.80 IKBKB (0.47) KCNH2AURKAIKBKBMAPK8MAPK10
SCHEMBL2287314 0.78 IKBKB (0.46) AURKAIKBKBMAPK8MAPK10AURKB
SCHEMBL16390879 0.77 IKBKB (0.55) IKBKBMAPK8MAPK10JAK2JAK3
SCHEMBL3226666 0.77 SCN9A (0.54) SCN9AKCNH2SCN5AAURKAIKBKB
SCHEMBL2285819 0.77 CDK2 (0.50) KCNH2AURKAIKBKBMAPK8MAPK10
SCHEMBL2285611 0.77 CDK2 (0.47) AURKAIKBKBMAPK8MAPK10EGFR
SCHEMBL2354961 0.77 JAK2 (0.48) AURKAIKBKBAURKBJAK2JAK3
SCHEMBL12354945 0.75 IGF1R (0.49) SCN9AKCNH2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP 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-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 SCN9A 1091/4885KCNH2 156/4885SCN5A 1170/4885

“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.