SCHEMBL4290704

SCHEMBL4290704

COc1cc2c(Nc3cc(CC(=O)Nc4cccc(O)c4)[nH]n3)ncnc2cc1OCCCN1CCC(CO)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 1.00
AURKB Q96GD4 6/20 0.87
EGFR P00533 1/20 0.65
IGF1R P08069 1/20 0.65
FGFR1 P11362 1/20 0.65
SRC P12931 1/20 0.65
FGFR2 P21802 1/20 0.65
FGFR4 P22455 1/20 0.65
FGFR3 P22607 1/20 0.65
CDK2 P24941 1/20 0.65
KDR P35968 1/20 0.65
CSK P41240 1/20 0.65
JAK3 P52333 1/20 0.65
PTK2 Q05397 1/20 0.65

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
SCHEMBL4290803 0.94 AURKA (1.00) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL4286728 0.94 AURKA (1.00) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL4288087 0.93 AURKA (0.87) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL3488241 0.93 AURKA (1.00) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL4289024 0.93 AURKA (1.00) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL4289155 0.91 AURKA (1.00) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL4290355 0.91 AURKA (1.00) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL4288016 0.91 AURKA (1.00) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL4297030 0.90 AURKA (0.88) AURKAAURKBEGFRIGF1RFGFR1
SCHEMBL4286511 0.90 AURKA (1.00) AURKAAURKBEGFRIGF1RFGFR1

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 3/4885EGFR 1016/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885EGFR 920/4885

“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.