SCHEMBL4055447

SCHEMBL4055447

COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCN1CCCCC1CCOP(=O)(O)O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.69
AURKB Q96GD4 5/20 0.68
KDR P35968 2/20 0.68
EGFR P00533 1/20 0.68
IGF1R P08069 1/20 0.68
FGFR1 P11362 1/20 0.68
SRC P12931 1/20 0.68
FGFR2 P21802 1/20 0.68
FGFR4 P22455 1/20 0.68
FGFR3 P22607 1/20 0.68
CDK2 P24941 1/20 0.68
CSK P41240 1/20 0.68
JAK3 P52333 1/20 0.68
PTK2 Q05397 1/20 0.68
PDGFRB P09619 1/20 0.49
FLT4 P35916 1/20 0.49
FLT3 P36888 1/20 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
SCHEMBL3884885 0.96 AURKA (0.74) AURKAAURKBKDREGFRIGF1R
SCHEMBL5049627 0.93 AURKA (0.65) AURKAAURKBKDREGFRIGF1R
SCHEMBL5045249 0.92 AURKB (0.73) AURKAAURKBKDREGFRIGF1R
SCHEMBL5041746 0.91 AURKA (0.74) AURKAAURKBKDREGFRIGF1R
SCHEMBL6530607 0.91 AURKA (0.74) AURKAAURKBKDREGFRIGF1R
SCHEMBL5045597 0.91 AURKA (0.74) AURKAAURKBKDREGFRIGF1R
Hydrochloric Acid SCHEMBL5045485 0.91 AURKA (0.73) AURKAAURKBKDREGFRIGF1R
SCHEMBL6472084 0.91 AURKB (0.72) AURKAAURKBKDREGFRIGF1R
SCHEMBL5041537 0.90 AURKA (0.70) AURKAAURKBKDREGFRIGF1R
SCHEMBL3885234 0.90 AURKB (0.78) AURKAAURKBKDREGFRIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407946-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2008-08-05 US claimed
US-20060058523-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-16 US claimed
EP-2012878-A2 COMBINATION THERAPY FOR DISEASES INVOLVING ANGIOGENESIS Bausch & Lomb Incorporated (US) 2009-01-14 EP disclosed
US-7407946-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2008-08-05 US disclosed
WO-2007130842-A2 COMBINATION THERAPY FOR DISEASES INVOLVING ANGIOGENESIS BAUSCH & LOMB INCORPORATED (US) 2007-11-15 WO disclosed
US-20070258976-A1 Combination Therapy for Diseases Involving Angiogenesis BAUSCH & LOMB INCORPORATED 2007-11-08 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 (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-20060058523-A1 Quinazoline compounds NDUFS5, ABL1, NDUFS7 AURKA 509/4885AURKB 735/4885KDR 2844/4885
US-20070258976-A1 Combination Therapy for Diseases Involving Angiogenesis VEGFA, FLT4, TEK AURKA 4480/4885AURKB 3406/4885KDR 5/4885

“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.