SCHEMBL5016593

SCHEMBL5016593

CCN(CCO)CCCOc1cc2ncnc(Nc3ccc(NC(=O)c4cccc(Cl)c4)nc3)c2cc1OC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.62
EGFR P00533 7/20 0.59
AURKA O14965 4/20 0.59
AURKB Q96GD4 4/20 0.57
IRAK4 Q9NWZ3 1/20 0.56
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 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
SCHEMBL5026747 0.97 KDR (0.60) KDREGFRAURKAAURKBIRAK4
SCHEMBL5016562 0.97 KDR (0.61) KDREGFRAURKAAURKBIRAK4
SCHEMBL5022386 0.93 KDR (0.59) KDREGFRAURKAAURKBIRAK4
SCHEMBL5023501 0.92 KDR (0.59) KDREGFRAURKAAURKBIRAK4
SCHEMBL5016561 0.92 KDR (0.59) KDREGFRAURKAAURKBIRAK4
SCHEMBL5025516 0.92 AURKA (0.66) KDREGFRAURKAAURKBIRAK4
SCHEMBL5025477 0.92 KDR (0.64) KDREGFRAURKAAURKBIRAK4
SCHEMBL5016598 0.91 KDR (0.58) KDREGFRAURKAAURKBIRAK4
SCHEMBL5022330 0.90 KDR (0.69) KDREGFRAURKAAURKBIRAK4
SCHEMBL5022845 0.90 KDR (0.57) KDREGFRAURKAAURKBIRAK4

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
EP-1575966-B1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-10-29 EP disclosed
US-20060058325-A1 Therapeutic quniazoline derivatives ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1575966-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004058782-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES 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-20060058325-A1 Therapeutic quniazoline derivatives NQO2, ABL1, CYP3A7 KDR 3166/4885EGFR 2724/4885AURKA 376/4885

“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.