SCHEMBL5504527

SCHEMBL5504527

CCN(CC)CCNC(=O)Nc1ccccc1NC(=O)c1ccc(C)c(-c2cnc3nc(NC)ncc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.52
MAPK14 Q16539 16/20 0.52
LCK P06239 15/20 0.52
BRAF P15056 4/20 0.52
KRAS P01116 3/20 0.52
RAF1 P04049 3/20 0.52
JAK3 P52333 12/20 0.49
TEK Q02763 1/20 0.44
FGFR1 P11362 1/20 0.41
MAPK13 O15264 1/20 0.40
ABL1 P00519 1/20 0.40
FYN P06241 1/20 0.40
ARAF P10398 1/20 0.40
SRC P12931 1/20 0.40
EPHA2 P29317 1/20 0.40
CSK P41240 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
IRAK1 P51617 1/20 0.40
MAPK12 P53778 1/20 0.40

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
SCHEMBL5504532 0.91 KDR (0.50) KDRMAPK14LCKBRAFKRAS
SCHEMBL5498528 0.88 KDR (0.57) KDRMAPK14LCKBRAFKRAS
SCHEMBL5498705 0.81 LCK (0.55) KDRMAPK14LCKBRAFKRAS
SCHEMBL5498060 0.79 MAPK14 (0.58) KDRMAPK14LCKBRAFKRAS
SCHEMBL5498719 0.76 LCK (0.79) KDRMAPK14LCKBRAFJAK3
SCHEMBL5502584 0.76 KDR (0.79) KDRMAPK14LCKBRAFKRAS
SCHEMBL5502277 0.74 KDM4E (0.54) KDRMAPK14LCKBRAFKRAS
SCHEMBL21416842 0.74 LCK (0.67) KDRMAPK14LCKBRAFJAK3
SCHEMBL14715520 0.73 KDR (0.51) KDRMAPK14LCKBRAFKRAS
SCHEMBL5499229 0.73 ALDH1A1 (0.52) KDRMAPK14LCKJAK3

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 KDR 1044/4885MAPK14 301/4885LCK 106/4885

“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.