SCHEMBL2242271

SCHEMBL2242271

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(OC)c3)cc2)ccn1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.79
BRAF P15056 4/20 0.79
MAPK13 O15264 4/20 0.66
MAPK11 Q15759 3/20 0.66
MAPK12 P53778 2/20 0.66
ABL1 P00519 7/20 0.61
SRC P12931 4/20 0.61
AXL P30530 3/20 0.61
KDR P35968 3/20 0.61
RAF1 P04049 3/20 0.61
RIPK1 Q13546 2/20 0.61
PLK4 O00444 2/20 0.61
JAK2 O60674 2/20 0.61
MAP4K4 O95819 2/20 0.61
LCK P06239 2/20 0.61
FYN P06241 2/20 0.61
LYN P07948 2/20 0.61
RET P07949 2/20 0.61
ROS1 P08922 2/20 0.61
FRK P42685 2/20 0.61

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
SCHEMBL2212748 0.93 MAPK14 (0.86) MAPK14BRAFMAPK13MAPK11MAPK12
SCHEMBL2243347 0.93 BRAF (0.89) MAPK14BRAFMAPK13MAPK11MAPK12
SCHEMBL2243585 0.92 MAPK14 (0.68) MAPK14BRAFMAPK13MAPK11MAPK12
SCHEMBL2214160 0.92 MAPK14 (0.87) MAPK14BRAFMAPK13MAPK11MAPK12
SCHEMBL2239272 0.91 MAPK14 (0.66) MAPK14BRAFMAPK13MAPK11MAPK12
SCHEMBL2245021 0.91 MAPK14 (0.78) MAPK14BRAFMAPK13MAPK11MAPK12
SCHEMBL2241165 0.90 BRAF (0.67) MAPK14BRAFMAPK13MAPK11MAPK12
SCHEMBL2242911 0.90 MAPK14 (0.66) MAPK14BRAFMAPK13MAPK11MAPK12
SCHEMBL2214122 0.90 MAPK14 (0.76) MAPK14BRAFMAPK13MAPK11MAPK12
SCHEMBL2240730 0.90 MAPK14 (0.65) MAPK14BRAFMAPK13MAPK11MAPK12

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 8 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
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
EP-2044053-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER Bayer Healthcare, LLC (US) 2009-04-08 EP disclosed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 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-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER UMPS, SLC14A1, CPS1 MAPK14 3645/4885BRAF 338/4885MAPK13 3641/4885

“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.