SCHEMBL4296517

SCHEMBL4296517

COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2cc1OCCCNCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 1.00
AURKB Q96GD4 9/20 1.00
PLK4 O00444 1/20 0.61
CIT O14578 1/20 0.61
MUSK O15146 1/20 0.61
EPHB6 O15197 1/20 0.61
MAP3K7 O43318 1/20 0.61
RIPK2 O43353 1/20 0.61
STK10 O94804 1/20 0.61
MAP4K4 O95819 1/20 0.61
CHEK2 O96017 1/20 0.61
ABL1 P00519 1/20 0.61
EGFR P00533 1/20 0.61
ERBB2 P04626 1/20 0.61
LCK P06239 1/20 0.61
CSF1R P07333 1/20 0.61
YES1 P07947 1/20 0.61
LYN P07948 1/20 0.61
RET P07949 1/20 0.61
MET P08581 1/20 0.61

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
SCHEMBL4299958 0.97 AURKA (0.93) AURKAAURKBPLK4CITMUSK
SCHEMBL4297395 0.93 AURKA (0.87) AURKAAURKB
SCHEMBL6525973 0.91 AURKA (0.84) AURKAAURKB
SCHEMBL3490562 0.91 AURKA (0.84) AURKAAURKBRIPK2EGFRLCK
SCHEMBL4288045 0.91 AURKA (0.84) AURKAAURKB
SCHEMBL4288339 0.91 AURKA (0.84) AURKAAURKB
SCHEMBL4298028 0.91 AURKA (0.84) AURKAAURKB
SCHEMBL5494039 0.91 AURKA (0.83) AURKAAURKB
SCHEMBL4289085 0.91 AURKA (0.83) AURKAAURKB
SCHEMBL4297547 0.91 AURKA (0.83) AURKAAURKBPLK4CITMUSK

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 7 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 claimed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US claimed
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 AURKA 2/4885AURKB 3/4885PLK4 11/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885PLK4 16/4885

“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.