SCHEMBL5045158

SCHEMBL5045158

COc1cc2c(Nc3ncc(CC(=O)Nc4ccccc4F)s3)ncnc2cc1OCCCN1CCC(CO)CC1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.81
EGFR P00533 1/20 0.81
IGF1R P08069 1/20 0.81
FGFR1 P11362 1/20 0.81
SRC P12931 1/20 0.81
FGFR2 P21802 1/20 0.81
FGFR4 P22455 1/20 0.81
FGFR3 P22607 1/20 0.81
CDK2 P24941 1/20 0.81
KDR P35968 1/20 0.81
CSK P41240 1/20 0.81
JAK3 P52333 1/20 0.81
PTK2 Q05397 1/20 0.81
AURKA O14965 19/20 0.74

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
SCHEMBL5046629 0.95 AURKA (0.81) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5042150 0.92 AURKA (0.69) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL3890313 0.91 AURKB (0.68) AURKBEGFRIGF1RFGFR1SRC
Hydrochloric Acid SCHEMBL5047675 0.91 AURKB (0.67) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5042158 0.90 AURKA (0.68) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5045448 0.90 AURKB (0.85) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5045154 0.89 AURKB (1.00) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5045870 0.89 AURKA (0.91) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5041401 0.89 AURKA (0.91) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL31060166 0.89 AURKB (1.00) AURKBEGFRIGF1RFGFR1SRC

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 AURKB 735/4885EGFR 2379/4885IGF1R 4446/4885

“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.