SCHEMBL5568993

SCHEMBL5568993

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(OCCN4CCCC4)cc3)cc2)ccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.69
RAF1 P04049 6/20 0.62
EPHX2 P34913 3/20 0.62
SRC P12931 3/20 0.61
KDR P35968 4/20 0.57
HRH3 Q9Y5N1 3/20 0.57
PLK4 O00444 2/20 0.57
AURKA O14965 2/20 0.57
MAPK13 O15264 2/20 0.57
MAP4K4 O95819 2/20 0.57
ABL1 P00519 2/20 0.57
LCK P06239 2/20 0.57
FYN P06241 2/20 0.57
LYN P07948 2/20 0.57
RET P07949 2/20 0.57
RPS6KB1 P23443 2/20 0.57
EPHA2 P29317 2/20 0.57
AXL P30530 2/20 0.57
FRK P42685 2/20 0.57
MAPK9 P45984 2/20 0.57

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
SCHEMBL5565301 0.92 MAPK14 (0.66) MAPK14RAF1EPHX2SRCKDR
SCHEMBL5564591 0.90 MCHR1 (0.67) MAPK14RAF1EPHX2SRCKDR
SCHEMBL5621111 0.89 HRH3 (0.60) MAPK14RAF1HRH3MCHR1LTA4H
SCHEMBL5621809 0.89 MCHR1 (0.61) MAPK14RAF1EPHX2SRCKDR
SCHEMBL5565177 0.87 SRC (0.69) MAPK14RAF1EPHX2SRCKDR
SCHEMBL5569051 0.87 MAPK14 (0.59) MAPK14RAF1EPHX2SRCKDR
SCHEMBL5569106 0.87 MAPK14 (0.63) MAPK14RAF1EPHX2SRCKDR
SCHEMBL5569661 0.86 GSK3B (0.60) MAPK14RAF1EPHX2SRCKDR
SCHEMBL14453662 0.85 MAPK14 (0.59) MAPK14RAF1EPHX2SRCKDR
SCHEMBL14453610 0.85 RAF1 (0.73) MAPK14RAF1EPHX2SRCKDR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US claimed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
EP-1730111-A2 SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GmbH (DE) 2006-12-13 EP disclosed
WO-2005075425-A2 SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-08-18 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-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS MAPK14 233/4885RAF1 2/4885EPHX2 1462/4885

“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.