SCHEMBL1936787

SCHEMBL1936787

CC(C)(C)N(CCc1ccc(Nc2nccc(N)n2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.45
KCNH2 Q12809 9/20 0.45
SCN5A Q14524 8/20 0.45
RET P07949 1/20 0.39
CDK1 P06493 1/20 0.39
KDR P35968 1/20 0.39
AURKA O14965 1/20 0.38
SYK P43405 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
SCHEMBL1934601 0.91 SCN9A (0.49) SCN9AKCNH2SCN5AAURKA
SCHEMBL1935790 0.82 ROCK1 (0.51) SCN9AKCNH2AURKA
SCHEMBL1936378 0.76 SCN9A (0.51) SCN9AKCNH2SCN5AKDRAURKA
SCHEMBL2281702 0.75 IKBKB (0.46) CDK1AURKA
SCHEMBL12354928 0.75 IGF1R (0.49) SCN9AKCNH2SCN5A
SCHEMBL12346572 0.74 SCN9A (0.60) SCN9AKCNH2SCN5ASYK
SCHEMBL3226666 0.73 SCN9A (0.54) SCN9AKCNH2SCN5ACDK1AURKA
SCHEMBL1845384 0.73 MEN1 (0.46)
SCHEMBL7167652 0.73 MAPT (0.37)
SCHEMBL12354945 0.72 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.