SCHEMBL2246436

SCHEMBL2246436

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C4CCC4)nn3-c3cc(Cl)cc(Cl)c3)cc2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.59
BRAF P15056 3/20 0.59
KCNJ6 P48051 9/20 0.54
KCNJ3 P48549 9/20 0.54
KCNJ5 P48544 7/20 0.54
RAF1 P04049 5/20 0.52
EPHX2 P34913 3/20 0.52
KDR P35968 5/20 0.52
PLK4 O00444 2/20 0.52
AURKA O14965 2/20 0.52
MAPK13 O15264 2/20 0.52
MAP4K4 O95819 2/20 0.52
ABL1 P00519 2/20 0.52
LCK P06239 2/20 0.52
FYN P06241 2/20 0.52
LYN P07948 2/20 0.52
RET P07949 2/20 0.52
SRC P12931 2/20 0.52
RPS6KB1 P23443 2/20 0.52
EPHA2 P29317 2/20 0.52

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
SCHEMBL2243108 0.98 MAPK14 (0.59) MAPK14BRAFKCNJ6KCNJ3KCNJ5
SCHEMBL2241234 0.91 MAPK14 (0.58) MAPK14BRAFKCNJ6KCNJ3KCNJ5
SCHEMBL2240958 0.91 KCNJ6 (0.56) MAPK14BRAFKCNJ6KCNJ3KCNJ5
SCHEMBL2242892 0.91 MAPK14 (0.48) MAPK14BRAFKCNJ6KCNJ3KCNJ5
SCHEMBL2240648 0.90 MAPK14 (0.58) MAPK14BRAFKCNJ6KCNJ3KCNJ5
SCHEMBL2240373 0.90 KCNJ6 (0.54) MAPK14BRAFKCNJ6KCNJ3KCNJ5
SCHEMBL2240721 0.90 KCNJ6 (0.58) MAPK14BRAFKCNJ6KCNJ3KCNJ5
SCHEMBL2240618 0.89 ABL1 (0.58) MAPK14BRAFKCNJ6KCNJ3KCNJ5
SCHEMBL2241236 0.89 MAPK14 (0.48) MAPK14BRAFKCNJ6KCNJ3KCNJ5
SCHEMBL2243426 0.89 MAPK14 (0.62) MAPK14BRAFKCNJ6KCNJ3KCNJ5

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 7 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
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 338/4885KCNJ6 4292/4885

“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.