SCHEMBL4447904

SCHEMBL4447904

COc1cc2c(Nc3ccc(Oc4ccncc4)cc3)ccnc2cc1OCCCN1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.72
SRC P12931 7/20 0.64
FGFR2 P21802 2/20 0.63
RAF1 P04049 2/20 0.62
MAPK3 P27361 1/20 0.62
MAPK1 P28482 1/20 0.62
KDR P35968 6/20 0.58
MET P08581 3/20 0.58
EGFR P00533 1/20 0.55
AXL P30530 1/20 0.55
AURKA O14965 1/20 0.55
RPS6KA5 O75582 1/20 0.55
LCK P06239 1/20 0.55
PIM1 P11309 1/20 0.55
HGF P14210 1/20 0.55
RPS6KB1 P23443 1/20 0.55
MAPK9 P45984 1/20 0.55
TEK Q02763 1/20 0.55
MST1R Q04912 1/20 0.55
BTK Q06187 1/20 0.55

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
SCHEMBL4447835 0.91 MAP2K1 (0.64) MAP2K1SRCFGFR2RAF1MAPK3
SCHEMBL4445567 0.89 SRC (0.62) MAP2K1SRCFGFR2RAF1MAPK3
SCHEMBL14040784 0.86 MAP2K1 (0.79) MAP2K1SRCFGFR2RAF1MAPK3
SCHEMBL4558340 0.85 MAP2K1 (0.71) MAP2K1SRCFGFR2RAF1MAPK3
SCHEMBL6993386 0.84 MAP2K1 (1.00) MAP2K1SRCRAF1MAPK3MAPK1
SCHEMBL18828353 0.83 SRC (0.57) MAP2K1SRCFGFR2KDRMET
SCHEMBL4557892 0.83 MAP2K1 (0.73) MAP2K1SRCFGFR2KDRMET
SCHEMBL4557789 0.83 MAP2K1 (0.73) MAP2K1SRCFGFR2KDRMET
SCHEMBL12308286 0.82 EGFR (0.77) SRCKDRMETEGFRAXL
SCHEMBL27731209 0.82 KDR (0.62) SRCKDRMETEGFRAXL

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-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer WYETH (US) 2009-12-31 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-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer FASN, FRS2, FGFR1 MAP2K1 840/4885SRC 9/4885FGFR2 17/4885

“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.