SCHEMBL13399798

SCHEMBL13399798

CCN(CCCOc1ccc2c(NCCc3cnc(NC(=O)Nc4ccccc4)s3)ncnc2c1)CCOP(=O)(O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.76
AURKB Q96GD4 7/20 0.66
CSF1R P07333 2/20 0.66
FLT3 P36888 2/20 0.66
NTRK1 P04629 1/20 0.66
NTRK3 Q16288 1/20 0.66
NTRK2 Q16620 1/20 0.66
EGFR P00533 3/20 0.51
KDR P35968 3/20 0.51
RIPK2 O43353 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
LYN P07948 1/20 0.51
RET P07949 1/20 0.51
HCK P08631 1/20 0.51
PDGFRB P09619 1/20 0.51
KIT P10721 1/20 0.51
PDGFRA P16234 1/20 0.51
CSNK2A2 P19784 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
SCHEMBL13399797 0.91 AURKA (0.81) AURKAAURKBCSF1RFLT3NTRK1
SCHEMBL13399741 0.88 AURKA (0.74) AURKAAURKBCSF1RFLT3NTRK1
SCHEMBL13399795 0.87 AURKA (1.00) AURKAAURKBCSF1RFLT3NTRK1
SCHEMBL13399746 0.82 AURKA (0.66) AURKAAURKBCSF1RFLT3NTRK1
SCHEMBL13430224 0.82 AURKA (0.53) AURKAAURKBCSF1RFLT3NTRK1
SCHEMBL29774214 0.80 AURKA (1.00) AURKAAURKBCSF1RFLT3NTRK1
SCHEMBL20898307 0.80 AURKA (1.00) AURKAAURKBCSF1RFLT3NTRK1
SCHEMBL29435074 0.80 AURKA (1.00) AURKAAURKBCSF1RFLT3NTRK1
SCHEMBL13399743 0.79 AURKA (0.79) AURKAAURKBCSF1RFLT3NTRK1
SCHEMBL13399738 0.77 AURKA (0.69) AURKAAURKBNTRK1EGFRKDR

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-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
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 3/4885CSF1R 3375/4885

“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.