SCHEMBL5049532

SCHEMBL5049532

CC(C)(C)[C](C1CCN(CCCOc2ccc3c(Nc4ncc(CC(=O)Nc5cccc(F)c5)s4)ncnc3c2)CC1)C(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.69
AURKB Q96GD4 4/20 0.69
EGFR P00533 4/20 0.69
CSK P41240 2/20 0.69
IGF1R P08069 1/20 0.69
FGFR1 P11362 1/20 0.69
SRC P12931 1/20 0.69
FGFR2 P21802 1/20 0.69
FGFR4 P22455 1/20 0.69
FGFR3 P22607 1/20 0.69
CDK2 P24941 1/20 0.69
JAK3 P52333 1/20 0.69
PTK2 Q05397 1/20 0.69
AURKA O14965 15/20 0.56
PDGFRB P09619 2/20 0.49
PDGFRA P16234 2/20 0.49
FLT1 P17948 2/20 0.49
FLT4 P35916 2/20 0.49
CDK1 P06493 1/20 0.49
BRAF P15056 2/20 0.48

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
SCHEMBL5048903 0.91 AURKB (0.80) KDRAURKBEGFRCSKIGF1R
SCHEMBL5049536 0.91 KDR (0.67) KDRAURKBEGFRCSKIGF1R
SCHEMBL5046812 0.90 AURKB (0.85) KDRAURKBEGFRCSKIGF1R
SCHEMBL3891880 0.86 KDR (0.68) KDRAURKBEGFRCSKIGF1R
SCHEMBL5045694 0.85 KDR (0.62) KDRAURKBEGFRCSKIGF1R
SCHEMBL5045057 0.83 AURKA (0.66) KDRAURKBEGFRCSKIGF1R
SCHEMBL5048650 0.82 AURKB (0.72) KDRAURKBEGFRCSKIGF1R
SCHEMBL5045267 0.82 AURKB (0.91) KDRAURKBEGFRCSKIGF1R
SCHEMBL5045154 0.82 AURKB (1.00) KDRAURKBEGFRCSKIGF1R
SCHEMBL31060166 0.82 AURKB (1.00) KDRAURKBEGFRCSKIGF1R

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 KDR 2844/4885AURKB 735/4885EGFR 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.