SCHEMBL13603624

SCHEMBL13603624

CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3cccc(OS(C)(=O)=O)c3)cc2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.55
MAPK14 Q16539 4/20 0.55
RET P07949 3/20 0.55
AURKB Q96GD4 3/20 0.55
HIPK4 Q8NE63 3/20 0.55
PLK4 O00444 2/20 0.55
AURKA O14965 2/20 0.55
MAPK13 O15264 2/20 0.55
MAP4K4 O95819 2/20 0.55
ABL1 P00519 2/20 0.55
LCK P06239 2/20 0.55
FYN P06241 2/20 0.55
LYN P07948 2/20 0.55
SRC P12931 2/20 0.55
RPS6KB1 P23443 2/20 0.55
EPHA2 P29317 2/20 0.55
AXL P30530 2/20 0.55
FRK P42685 2/20 0.55
MAPK9 P45984 2/20 0.55
BLK P51451 2/20 0.55

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
SCHEMBL13603622 0.91 MAPK14 (0.58) KDRMAPK14RETAURKBHIPK4
SCHEMBL13603590 0.91 KDR (0.59) KDRMAPK14RETAURKBHIPK4
SCHEMBL15573040 0.89 KDR (0.56) KDRMAPK14RETAURKBHIPK4
SCHEMBL13603809 0.86 KDR (0.61) KDRMAPK14RETAURKBHIPK4
SCHEMBL171153 0.86 KDR (0.55) KDRMAPK14RETAURKBHIPK4
SCHEMBL171273 0.85 KDR (0.61) KDRMAPK14RETAURKBHIPK4
SCHEMBL13603520 0.84 BRAF (0.59) KDRMAPK14RETAURKBHIPK4
SCHEMBL15574673 0.84 KDR (0.57) KDRMAPK14RETAURKBHIPK4
SCHEMBL13603542 0.84 MAPK14 (0.58) KDRMAPK14RETAURKBHIPK4
SCHEMBL171257 0.83 RET (0.59) KDRMAPK14RETAURKBHIPK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US 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 (2 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-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 KDR 1819/4885MAPK14 120/4885RET 85/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 KDR 1819/4885MAPK14 120/4885RET 85/4885

“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.