SCHEMBL13399741

SCHEMBL13399741

CCN(CCCOc1ccc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1)CCOP(=O)(O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.74
AURKB Q96GD4 7/20 0.59
EGFR P00533 3/20 0.56
KDR P35968 3/20 0.56
FLT3 P36888 2/20 0.56
RIPK2 O43353 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
LYN P07948 1/20 0.56
RET P07949 1/20 0.56
HCK P08631 1/20 0.56
PDGFRB P09619 1/20 0.56
KIT P10721 1/20 0.56
PDGFRA P16234 1/20 0.56
CSNK2A2 P19784 1/20 0.56
RAB6A P20340 1/20 0.56
MST1R Q04912 1/20 0.56
MAP2K5 Q13163 1/20 0.56
DYRK1A Q13627 1/20 0.56
AURKC Q9UQB9 1/20 0.56

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
SCHEMBL13399746 0.93 AURKA (0.66) AURKAAURKBEGFRKDRFLT3
SCHEMBL13399743 0.90 AURKA (0.79) AURKAAURKBEGFRKDRFLT3
SCHEMBL13399798 0.88 AURKA (0.76) AURKAAURKBEGFRKDRFLT3
SCHEMBL13399738 0.88 AURKA (0.69) AURKAAURKBEGFRKDRNTRK1
SCHEMBL13399748 0.87 AURKA (0.56) AURKAAURKBEGFRKDRFLT3
SCHEMBL1938109 0.85 AURKA (1.00) AURKAAURKBFLT3NTRK1CSF1R
SCHEMBL13430224 0.84 AURKA (0.53) AURKAAURKBEGFRKDRFLT3
SCHEMBL13399747 0.84 AURKA (0.52) AURKAAURKBEGFRKDRFLT3
SCHEMBL13399745 0.83 AURKA (0.68) AURKAAURKBEGFRKDRFLT3
SCHEMBL13399776 0.83 AURKA (0.66) AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006252-B2 Fused multicyclic compounds as protein kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-04-14 US disclosed
US-9006252-B2 Fused multicyclic compounds as protein kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-04-14 US disclosed
EP-2331530-B1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NAT HEALTH RESEARCH INSTITUTES (CN) 2013-08-21 EP disclosed
WO-2010036629-A2 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 WO disclosed
US-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 US disclosed
US-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 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-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885EGFR 493/4885

“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.