SCHEMBL13399747

SCHEMBL13399747

CCN(CCCOc1ccc2c(NCCc3ccc(Nc4nc5ccccc5[nH]4)cc3)ncnc2c1)CCOP(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.52
AURKB Q96GD4 13/20 0.51
EGFR P00533 4/20 0.51
KDR P35968 4/20 0.51
RIPK2 O43353 2/20 0.51
LCK P06239 2/20 0.51
LYN P07948 2/20 0.51
RET P07949 2/20 0.51
HCK P08631 2/20 0.51
PDGFRB P09619 2/20 0.51
KIT P10721 2/20 0.51
PDGFRA P16234 2/20 0.51
CSNK2A2 P19784 2/20 0.51
FLT3 P36888 2/20 0.51
MST1R Q04912 2/20 0.51
MAP2K5 Q13163 2/20 0.51
AURKC Q9UQB9 2/20 0.51
MAP4K5 Q9Y4K4 2/20 0.51
FYN P06241 1/20 0.51
RAB6A P20340 1/20 0.51

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
SCHEMBL13399744 0.91 AURKA (0.56) AURKAAURKBEGFRKDRRIPK2
SCHEMBL13399741 0.84 AURKA (0.74) AURKAAURKBEGFRKDRRIPK2
SCHEMBL13399746 0.80 AURKA (0.66) AURKAAURKBEGFRKDRRIPK2
SCHEMBL13399801 0.76 AURKB (0.59) AURKAAURKBEGFR
SCHEMBL13399743 0.75 AURKA (0.79) AURKAAURKBEGFRKDRRIPK2
SCHEMBL13399798 0.74 AURKA (0.76) AURKAAURKBEGFRKDRRIPK2
SCHEMBL13399738 0.73 AURKA (0.69) AURKAAURKBEGFRKDR
SCHEMBL13399963 0.73 MAPK1 (0.65) AURKAAURKBEGFRKDRLCK
SCHEMBL13399748 0.72 AURKA (0.56) AURKAAURKBEGFRKDRRIPK2
SCHEMBL20078516 0.72 AURKA (0.59) AURKAAURKBEGFRKDRRIPK2

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.