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Sugi Predict / Compounds / SCHEMBL4301985

SCHEMBL4301985

SCHEMBL4301985

CC(C)(C)CN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 19/20 0.86
▸ AURKB Q96GD4 9/20 0.86
▸ RIPK2 O43353 2/20 0.69
▸ EGFR P00533 2/20 0.69
▸ LCK P06239 2/20 0.69
▸ LYN P07948 2/20 0.69
▸ RET P07949 2/20 0.69
▸ HCK P08631 2/20 0.69
▸ PDGFRB P09619 2/20 0.69
▸ KIT P10721 2/20 0.69
▸ PDGFRA P16234 2/20 0.69
▸ CSNK2A2 P19784 2/20 0.69
▸ KDR P35968 2/20 0.69
▸ FLT3 P36888 2/20 0.69
▸ MST1R Q04912 2/20 0.69
▸ MAP2K5 Q13163 2/20 0.69
▸ AURKC Q9UQB9 2/20 0.69
▸ MAP4K5 Q9Y4K4 2/20 0.69
▸ PLK4 O00444 1/20 0.69
▸ CIT O14578 1/20 0.69

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
SCHEMBL3489245 0.93 AURKA (0.95) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3490409 0.93 AURKA (1.00) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3489868 0.93 AURKA (1.00) AURKAAURKBRIPK2EGFRLCK
SCHEMBL4289392 0.91 AURKA (0.86) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3490076 0.91 AURKA (0.96) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3489628 0.91 AURKA (0.96) AURKAAURKBRIPK2EGFRLCK
SCHEMBL4290395 0.90 AURKA (0.86) AURKAAURKBRIPK2EGFRLCK
SCHEMBL4294275 0.89 AURKA (0.87) AURKAAURKBRIPK2EGFRLCK
SCHEMBL5486559 0.88 AURKA (0.80) AURKAAURKBRIPK2EGFRLCK
SCHEMBL3490071 0.88 AURKA (0.82) AURKAAURKBRIPK2EGFRLCK

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 8 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
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 AURKA 2/4885AURKB 3/4885RIPK2 869/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885RIPK2 702/4885

“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.