SCHEMBL4292544

SCHEMBL4292544

COCCOc1cc(OC(C)C)c2c(=O)[nH]cnc2c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.34
SYK P43405 1/20 0.34
KDR P35968 13/20 0.34
SRC P12931 13/20 0.34
PARP1 P09874 1/20 0.33
BRPF1 P55201 1/20 0.32

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
SCHEMBL4302029 0.89 KDM4E (0.40) KDM4EHTTSRCPARP1
SCHEMBL30353910 0.87 BRD4 (0.41) KDM4EHTTSRCPARP1
SCHEMBL15328198 0.87 BRD4 (0.41) KDM4EHTTSRCPARP1
SCHEMBL23068614 0.86 PARP1 (0.39) KDM4ESYKSRCPARP1
SCHEMBL3177805 0.83 KDM4E (0.37) KDM4EHTTSRCPARP1
SCHEMBL3203162 0.80 SRC (0.43) KDM4EKDRSRC
SCHEMBL3198358 0.80 IP6K1 (0.54) PARP1
SCHEMBL6826990 0.80 SRC (0.52) SYKKDRSRC
SCHEMBL3183834 0.79 KDM4E (0.37) KDM4EHTTSYKKDRSRC
SCHEMBL3193429 0.79 QPCT (0.39) KDM4EKDRSRC

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
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US disclosed
EP-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 EP disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 WO 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 (2 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-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB KDM4E 1346/4885HTT 4104/4885NPSR1 4066/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB KDM4E 1249/4885HTT 4587/4885NPSR1 4310/4885

“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.