SCHEMBL4445567

SCHEMBL4445567

COc1cc2c(Nc3ccc(Oc4ccccn4)cc3)ccnc2cc1OCCCN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.62
MAP2K1 Q02750 8/20 0.61
RAF1 P04049 2/20 0.61
MAPK3 P27361 1/20 0.61
MAPK1 P28482 1/20 0.61
FGFR2 P21802 2/20 0.60
KDR P35968 6/20 0.56
MET P08581 2/20 0.55
EGFR P00533 3/20 0.55
AURKA O14965 1/20 0.55
ROCK2 O75116 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
RET P07949 1/20 0.55
MAPT P10636 1/20 0.55
PDGFRA P16234 1/20 0.55
LTK P29376 1/20 0.55
TTK P33981 1/20 0.55
MAP2K2 P36507 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
SCHEMBL4447904 0.89 MAP2K1 (0.72) SRCMAP2K1RAF1MAPK3MAPK1
SCHEMBL4447835 0.87 MAP2K1 (0.64) SRCMAP2K1RAF1MAPK3MAPK1
SCHEMBL4558340 0.85 MAP2K1 (0.71) SRCMAP2K1RAF1MAPK3MAPK1
SCHEMBL6995929 0.85 MAP2K1 (0.85) SRCMAP2K1RAF1MAPK3MAPK1
SCHEMBL4557892 0.82 MAP2K1 (0.73) SRCMAP2K1FGFR2KDRMET
SCHEMBL27731209 0.81 KDR (0.62) SRCKDRMETEGFRLCK
SCHEMBL18828353 0.80 SRC (0.57) SRCMAP2K1FGFR2KDRMET
SCHEMBL4557789 0.80 MAP2K1 (0.73) SRCMAP2K1FGFR2KDRMET
SCHEMBL12308286 0.80 EGFR (0.77) SRCKDRMETEGFRLCK
SCHEMBL4476247 0.79 FGFR2 (0.92) SRCMAP2K1RAF1MAPK3MAPK1

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 2 patents. 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
WO-2009151910-A2 COMBINATION PRODUCT OF RECEPTOR TYROSINE KINASE INHIBITOR AND FATTY ACID SYNTHASE INHIBITOR FOR TREATING CANCER WYETH (US) 2009-12-17 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-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer FASN, FRS2, FGFR1 SRC 9/4885MAP2K1 840/4885RAF1 126/4885

“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.