SCHEMBL5501412

SCHEMBL5501412

CN(C)CCCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccc3nc(N)ncc3c2)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.49
KDR P35968 9/20 0.44
TEK Q02763 5/20 0.44
MAPK14 Q16539 6/20 0.42
JAK3 P52333 5/20 0.42
F10 P00742 1/20 0.39
KIT P10721 1/20 0.37
SRC P12931 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
EPHB4 P54760 1/20 0.36
FGFR4 P22455 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5491403 0.92 LCK (0.60) LCKKDRTEKMAPK14JAK3
SCHEMBL5497764 0.91 LCK (0.49) LCKKDRTEKMAPK14JAK3
SCHEMBL5503720 0.91 LCK (0.45) LCKKDRTEKMAPK14JAK3
SCHEMBL5498568 0.90 LCK (0.49) LCKKDRTEKMAPK14JAK3
SCHEMBL5502207 0.89 LCK (0.61) LCKKDRTEKMAPK14JAK3
SCHEMBL5503625 0.87 LCK (0.46) LCKKDRTEKMAPK14JAK3
SCHEMBL5501414 0.87 LCK (0.59) LCKKDRTEKMAPK14JAK3
SCHEMBL5503005 0.86 LCK (0.47) LCKKDRTEKMAPK14JAK3
SCHEMBL5504114 0.86 LCK (0.44) LCKKDRTEKMAPK14JAK3
SCHEMBL5496681 0.86 LCK (0.53) LCKKDRTEKMAPK14JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 LCK 106/4885KDR 1044/4885TEK 836/4885

“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.