SCHEMBL6072499

SCHEMBL6072499

CN1CCC(NC(=O)c2cc(Oc3ccc4c(c3)CCN4C(=O)Nc3cccc(C(F)(F)F)c3)ccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.52
PLK4 O00444 1/20 0.52
AURKA O14965 1/20 0.52
MAPK13 O15264 1/20 0.52
JAK2 O60674 1/20 0.52
MAP4K4 O95819 1/20 0.52
ABL1 P00519 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
LYN P07948 1/20 0.52
RET P07949 1/20 0.52
ROS1 P08922 1/20 0.52
SRC P12931 1/20 0.52
RPS6KB1 P23443 1/20 0.52
EPHA2 P29317 1/20 0.52
TYK2 P29597 1/20 0.52
AXL P30530 1/20 0.52
FRK P42685 1/20 0.52
SYK P43405 1/20 0.52
MAPK9 P45984 1/20 0.52

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
SCHEMBL6071951 0.88 KDR (0.67) KDRPLK4AURKAMAPK13JAK2
SCHEMBL14553225 0.83 HTR2A (0.57) KDRPLK4AURKAMAPK13JAK2
SCHEMBL6072418 0.82 KDR (0.47) KDRMAPK14RIPK1BRAFRAF1
SCHEMBL3175847 0.81 HTR2C (0.63) KDRMAPK14TNNI3KHTR2AHTR2C
SCHEMBL14476382 0.80 HTR2A (0.55) KDRPLK4AURKAMAPK13JAK2
SCHEMBL2509391 0.77 KDR (0.60) KDRPLK4AURKAMAPK13JAK2
SCHEMBL13528800 0.77 BRAF (0.59) KDRPLK4AURKAMAPK13JAK2
SCHEMBL12972303 0.76 KDR (0.61) KDRRETMAPK14TNNI3KHTR2A
SCHEMBL6072483 0.76 KDR (0.61) KDRPLK4AURKAMAPK13JAK2
SCHEMBL12972410 0.76 RIPK1 (0.51) KDRRETMAPK14TNNI3KHTR2A

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-20060241149-A1 Chemical compounds ADAMS JERRY L 2006-10-26 US disclosed
EP-1581514-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-10-05 EP disclosed
WO-2004043379-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO 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-20060241149-A1 Chemical compounds CHKB, MAP3K20, MAP3K6 KDR 2025/4885PLK4 294/4885AURKA 820/4885

“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.