SCHEMBL2249059

SCHEMBL2249059

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.44
BRAF P15056 9/20 0.42
RAF1 P04049 8/20 0.42
MAPK14 Q16539 3/20 0.42
P2RX3 P56373 3/20 0.41
EPHX2 P34913 2/20 0.41
MEN1 O00255 1/20 0.41
PLK4 O00444 1/20 0.41
CIT O14578 1/20 0.41
AURKA O14965 1/20 0.41
MUSK O15146 1/20 0.41
EPHB6 O15197 1/20 0.41
MAPK13 O15264 1/20 0.41
MLNR O43193 1/20 0.41
MAP3K7 O43318 1/20 0.41
RIPK2 O43353 1/20 0.41
DYRK3 O43781 1/20 0.41
PDE6D O43924 1/20 0.41
NR1I2 O75469 1/20 0.41
STK10 O94804 1/20 0.41

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
SCHEMBL2248112 0.88 KDR (0.43) KDRBRAFRAF1MAPK14EPHX2
SCHEMBL2246305 0.85 RAF1 (0.43) KDRBRAFRAF1MAPK14P2RX3
SCHEMBL2246431 0.85 KDR (0.42) KDRBRAFRAF1MAPK14P2RX3
SCHEMBL2246329 0.81 RAF1 (0.37) KDRBRAFRAF1MAPK14P2RX3
SCHEMBL2243427 0.80 BRAF (0.44) KDRBRAFRAF1MAPK14EPHX2
SCHEMBL177543 0.80 KDR (0.60) KDRBRAFRAF1MAPK14EPHX2
SCHEMBL2249935 0.79 ABL1 (0.43) KDRBRAFRAF1MAPK14EPHX2
SCHEMBL2244687 0.78 MAPK14 (0.63) KDRBRAFRAF1MAPK14EPHX2
SCHEMBL2243539 0.78 BRAF (0.44) KDRBRAFRAF1MAPK14P2RX3
SCHEMBL2243151 0.78 MET (0.40) KDRBRAFRAF1MAPK14P2RX3

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 1 patent. 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

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 KDR 4185/4885BRAF 338/4885RAF1 860/4885

“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.