SCHEMBL2249945

SCHEMBL2249945

CNC(=O)c1cc(Oc2ccc(N(C(N)=O)c3c(C)c(C(C)C)nn3-c3cc(F)cc(F)c3)cc2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.42
MAPK14 Q16539 3/20 0.42
KDR P35968 7/20 0.41
RAF1 P04049 4/20 0.40
EPHX2 P34913 1/20 0.40
MET P08581 2/20 0.40
HIPK4 Q8NE63 7/20 0.39
DDR2 Q16832 2/20 0.39
ABL1 P00519 3/20 0.39
PLK4 O00444 2/20 0.39
JAK2 O60674 2/20 0.39
MAP4K4 O95819 2/20 0.39
LCK P06239 2/20 0.39
FYN P06241 2/20 0.39
LYN P07948 2/20 0.39
RET P07949 2/20 0.39
ROS1 P08922 2/20 0.39
SRC P12931 2/20 0.39
AXL P30530 2/20 0.39
FRK P42685 2/20 0.39

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
SCHEMBL2243328 0.89 BRAF (0.39) BRAFMAPK14KDRRAF1EPHX2
SCHEMBL2247488 0.87 BRAF (0.48) BRAFMAPK14KDRRAF1EPHX2
SCHEMBL2243568 0.80 RAF1 (0.55) BRAFMAPK14KDRRAF1EPHX2
SCHEMBL2248112 0.79 KDR (0.43) BRAFMAPK14KDRRAF1EPHX2
SCHEMBL2240645 0.78 BRAF (0.42) BRAFMAPK14KDRRAF1EPHX2
SCHEMBL2241177 0.78 MAPK14 (0.43) BRAFMAPK14KDRRAF1EPHX2
SCHEMBL2246414 0.78 CSF1R (0.42) BRAFMAPK14KDRRAF1EPHX2
SCHEMBL177543 0.78 KDR (0.60) BRAFMAPK14KDRRAF1EPHX2
SCHEMBL2245532 0.77 ABL1 (0.56) BRAFMAPK14KDRRAF1EPHX2
SCHEMBL2249059 0.76 KDR (0.44) BRAFMAPK14KDRRAF1EPHX2

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-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US claimed
EP-2044053-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER Bayer Healthcare, LLC (US) 2009-04-08 EP claimed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 WO claimed

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-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER UMPS, SLC14A1, CPS1 BRAF 338/4885MAPK14 3645/4885KDR 4185/4885

“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.