SCHEMBL6516115

SCHEMBL6516115

O=C(O)N1CCOc2cc(Oc3ccnc4[nH]c(=O)c5ccccc5c34)ccc21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.53
KDR P35968 18/20 0.53
LCK P06239 16/20 0.53
MET P08581 15/20 0.53
TEK Q02763 11/20 0.53

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
SCHEMBL6524050 0.92 KDR (0.64) KDRLCKMETTEK
SCHEMBL12846655 0.88 KDR (0.65) AURKAKDRLCKMETTEK
SCHEMBL12846623 0.86 KDR (0.66) AURKAKDRLCKMETTEK
SCHEMBL6530457 0.85 AURKA (0.58) AURKAKDRLCKMETTEK
SCHEMBL12846361 0.84 KDR (0.54) AURKAKDRLCKMETTEK
SCHEMBL6523412 0.82 AURKA (0.81) AURKAKDRLCKMETTEK
SCHEMBL6521485 0.79 AURKA (0.71) AURKAKDRLCKMETTEK
SCHEMBL3453781 0.74 AURKA (0.58) AURKA
SCHEMBL6524888 0.71 AURKA (0.52) AURKA
SCHEMBL6523535 0.70 AURKA (0.69) AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 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 (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-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 AURKA 538/4885KDR 1368/4885LCK 316/4885

“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.