SCHEMBL4298039

SCHEMBL4298039

COc1cc(OC2CCN(CCOC(C)(C)C)CC2)c2c(=O)[nH]cnc2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
IL17A Q16552 1/20 0.42
SRC P12931 10/20 0.39
EGFR P00533 3/20 0.37
PARP1 P09874 1/20 0.37
KDR P35968 9/20 0.36
DRD2 P14416 1/20 0.35
KCNH2 Q12809 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34

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
SCHEMBL4298409 0.89 SRC (0.43) SRCEGFRKDR
SCHEMBL4299761 0.88 SCD (0.34) EGFRPARP1DRD2KCNH2CACNA1I
SCHEMBL3275698 0.84 SRC (0.51) BRD4IL17ASRCEGFRKDR
SCHEMBL3282183 0.80 PDE4B (0.46) EGFR
SCHEMBL3282936 0.80 ALDH1A1 (0.41) BRD4IL17ASRCEGFR
SCHEMBL1015994 0.77 EGFR (0.48) SRCEGFRKDR
SCHEMBL16747789 0.76 SRC (0.49) SRCEGFRKDR
SCHEMBL4266694 0.76 SRC (0.53) SRCEGFRKDR
SCHEMBL16742334 0.75 SRC (0.53) BRD4IL17ASRCEGFRKDR
SCHEMBL3195404 0.74 SRC (0.47) SRCEGFRKDR

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 BRD4 726/4885IL17A 4030/4885SRC 785/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB BRD4 557/4885IL17A 4054/4885SRC 754/4885

“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.