SCHEMBL13648404

SCHEMBL13648404

CNCCOc1cc(Cl)c(C)cc1NC(=O)NNc1ccc(C)c(Oc2ccnc(C(=O)NC)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.50
DDR2 Q16832 4/20 0.46
RAF1 P04049 10/20 0.43
KDR P35968 6/20 0.42
MAPK14 Q16539 4/20 0.42
BRAF P15056 4/20 0.42
RET P07949 3/20 0.42
MAP3K20 Q9NYL2 3/20 0.42
EPHX2 P34913 3/20 0.42
RIPK2 O43353 2/20 0.42
ABCB11 O95342 2/20 0.42
ABL1 P00519 2/20 0.42
HTR1A P08908 2/20 0.42
PDGFRB P09619 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
KIT P10721 2/20 0.42
FGFR1 P11362 2/20 0.42
PDGFRA P16234 2/20 0.42
FLT1 P17948 2/20 0.42
MAOA P21397 2/20 0.42

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
SCHEMBL13648401 0.91 GSK3B (0.63) GSK3BDDR2RAF1KDRMAPK14
SCHEMBL13648408 0.91 DDR2 (0.52) GSK3BDDR2RAF1KDRMAPK14
SCHEMBL13648368 0.91 RET (0.50) GSK3BDDR2RAF1KDRMAPK14
SCHEMBL13648287 0.90 DDR2 (0.53) GSK3BDDR2RAF1KDRMAPK14
SCHEMBL13648395 0.89 GSK3B (0.51) GSK3BDDR2RAF1KDRMAPK14
SCHEMBL13648405 0.88 GSK3B (0.47) GSK3BDDR2RAF1KDRMAPK14
SCHEMBL13648441 0.87 GSK3B (0.48) GSK3BDDR2RAF1KDRMAPK14
SCHEMBL13648415 0.86 GSK3B (0.45) GSK3BDDR2RAF1KDRMAPK14
SCHEMBL13648273 0.86 DDR2 (0.53) GSK3BDDR2RAF1KDRMAPK14
SCHEMBL5564720 0.86 GSK3B (0.65) GSK3BDDR2RAF1KDRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 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 (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-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 GSK3B 324/4885DDR2 629/4885RAF1 125/4885

“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.