SCHEMBL5025440

SCHEMBL5025440

COc1cc2c(Nc3ccc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCCOC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.67
EGFR P00533 4/20 0.63
AURKA O14965 2/20 0.63
HDAC3 O15379 8/20 0.58
HDAC4 P56524 8/20 0.58
HDAC1 Q13547 8/20 0.58
HDAC7 Q8WUI4 8/20 0.58
HDAC2 Q92769 8/20 0.58
HDAC10 Q969S8 8/20 0.58
HDAC11 Q96DB2 8/20 0.58
HDAC8 Q9BY41 8/20 0.58
HDAC6 Q9UBN7 8/20 0.58
HDAC9 Q9UKV0 8/20 0.58
HDAC5 Q9UQL6 8/20 0.58
AURKB Q96GD4 2/20 0.56
IRAK4 Q9NWZ3 1/20 0.56

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
SCHEMBL5022330 0.92 KDR (0.69) KDREGFRAURKAHDAC3HDAC4
SCHEMBL5022508 0.92 KDR (0.69) KDREGFRAURKAHDAC3HDAC4
SCHEMBL5025447 0.92 KDR (0.71) KDREGFRAURKAHDAC3HDAC4
Hydrochloric Acid SCHEMBL5022938 0.92 KDR (0.70) KDREGFRAURKAHDAC3HDAC4
SCHEMBL5022354 0.90 KDR (0.66) KDREGFRAURKAHDAC3HDAC4
SCHEMBL5022265 0.87 KDR (0.70) KDREGFRAURKAAURKBIRAK4
SCHEMBL5025477 0.87 KDR (0.64) KDREGFRAURKAHDAC3HDAC4
SCHEMBL5090002 0.86 KDR (0.63) KDREGFRAURKAHDAC3HDAC4
SCHEMBL5026747 0.86 KDR (0.60) KDREGFRAURKAHDAC3HDAC4
SCHEMBL5016593 0.86 KDR (0.62) KDREGFRAURKAHDAC3HDAC4

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.