SCHEMBL5504532

SCHEMBL5504532

CCN(CC)CCNC(=O)Nc1ccc(NC(=O)c2ccc(C)c(-c3cnc4nc(NC)ncc4c3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.50
BRAF P15056 2/20 0.50
KRAS P01116 1/20 0.50
RAF1 P04049 1/20 0.50
LCK P06239 11/20 0.49
MAPK14 Q16539 11/20 0.49
JAK3 P52333 9/20 0.48
TEK Q02763 1/20 0.47
RIPK1 Q13546 1/20 0.42
RIPK3 Q9Y572 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
FGFR1 P11362 1/20 0.41
MCHR1 Q99705 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 1/20 0.40
KCNH2 Q12809 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
SCHEMBL5504527 0.91 KDR (0.52) KDRBRAFKRASRAF1LCK
SCHEMBL5498528 0.90 KDR (0.57) KDRBRAFKRASRAF1LCK
SCHEMBL5498705 0.86 LCK (0.55) KDRBRAFKRASRAF1LCK
SCHEMBL5498060 0.82 MAPK14 (0.58) KDRBRAFKRASRAF1LCK
SCHEMBL5499158 0.80 KDR (0.56) KDRBRAFKRASRAF1LCK
SCHEMBL5501153 0.79 LCK (0.52) KDRBRAFLCKMAPK14JAK3
SCHEMBL5498136 0.79 LCK (0.64) KDRBRAFLCKMAPK14JAK3
SCHEMBL14715520 0.79 KDR (0.51) KDRBRAFKRASRAF1LCK
SCHEMBL5503952 0.77 KDR (0.53) KDRBRAFKRASRAF1LCK
SCHEMBL23745196 0.75 ABL1 (0.57) KDRBRAFKRASRAF1LCK

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 1044/4885BRAF 100/4885KRAS 805/4885

“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.