SCHEMBL5046866

SCHEMBL5046866

COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCC1CCNCC1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.75
KDR P35968 7/20 0.73
EGFR P00533 5/20 0.73
FGFR1 P11362 5/20 0.73
AURKB Q96GD4 3/20 0.73
IGF1R P08069 1/20 0.73
SRC P12931 1/20 0.73
FGFR2 P21802 1/20 0.73
FGFR4 P22455 1/20 0.73
FGFR3 P22607 1/20 0.73
CDK2 P24941 1/20 0.73
CSK P41240 1/20 0.73
JAK3 P52333 1/20 0.73
PTK2 Q05397 1/20 0.73
FLT4 P35916 5/20 0.56
PDGFRB P09619 1/20 0.56
FLT3 P36888 1/20 0.56
FLT1 P17948 4/20 0.54

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
SCHEMBL5046772 0.89 KDR (0.83) AURKAKDREGFRFGFR1AURKB
SCHEMBL3885282 0.86 AURKB (0.77) AURKAKDREGFRFGFR1AURKB
SCHEMBL5041291 0.85 AURKB (0.76) AURKAKDREGFRFGFR1AURKB
SCHEMBL5025165 0.85 AURKA (0.87) AURKAKDREGFRFGFR1AURKB
SCHEMBL4595372 0.84 AURKA (0.66) AURKAKDREGFRFGFR1AURKB
SCHEMBL5045154 0.84 AURKB (1.00) AURKAKDREGFRFGFR1AURKB
SCHEMBL31060166 0.84 AURKB (1.00) AURKAKDREGFRFGFR1AURKB
SCHEMBL5045133 0.83 AURKB (0.73) AURKAKDREGFRFGFR1AURKB
SCHEMBL5045676 0.83 AURKB (0.88) AURKAKDREGFRFGFR1AURKB
SCHEMBL5045980 0.82 AURKB (0.84) AURKAKDREGFRFGFR1AURKB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407946-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-20060058523-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1575946-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004058752-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2004-07-15 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 (1 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-20060058523-A1 Quinazoline compounds NDUFS5, ABL1, NDUFS7 AURKA 509/4885KDR 2844/4885EGFR 2379/4885

“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.