SCHEMBL5048501

SCHEMBL5048501

COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(Cl)c4)s3)ncnc2cc1OCCCN1CCC[C@@H]1[C](C(C)(C)C)C(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.72
KDR P35968 7/20 0.63
AURKB Q96GD4 3/20 0.63
EGFR P00533 3/20 0.63
IGF1R P08069 1/20 0.63
FGFR1 P11362 1/20 0.63
SRC P12931 1/20 0.63
FGFR2 P21802 1/20 0.63
FGFR4 P22455 1/20 0.63
FGFR3 P22607 1/20 0.63
CDK2 P24941 1/20 0.63
CSK P41240 1/20 0.63
JAK3 P52333 1/20 0.63
PTK2 Q05397 1/20 0.63
HDAC3 O15379 4/20 0.49
HDAC4 P56524 4/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC7 Q8WUI4 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC10 Q969S8 4/20 0.49

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
SCHEMBL5045013 0.93 AURKB (0.73) AURKAKDRAURKBEGFRIGF1R
SCHEMBL5046346 0.93 AURKB (0.73) AURKAKDRAURKBEGFRIGF1R
SCHEMBL5042183 0.92 AURKA (0.68) AURKAKDRAURKBEGFRIGF1R
SCHEMBL5045490 0.92 AURKA (0.68) AURKAKDRAURKBEGFRIGF1R
SCHEMBL5048506 0.90 AURKA (0.71) AURKAKDRAURKBEGFRIGF1R
SCHEMBL5045584 0.89 AURKA (0.66) AURKAKDRAURKBEGFRIGF1R
SCHEMBL5045354 0.88 AURKA (0.82) AURKAKDRAURKBEGFRIGF1R
SCHEMBL5048570 0.88 AURKA (0.82) AURKAKDRAURKBEGFRIGF1R
SCHEMBL5045170 0.87 AURKA (0.74) AURKAKDRAURKBEGFRIGF1R
SCHEMBL5042163 0.87 AURKA (0.74) AURKAKDRAURKBEGFRIGF1R

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 2844/4885AURKB 735/4885

“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.