SCHEMBL5016550

SCHEMBL5016550

COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.74
AURKA O14965 4/20 0.68
AURKB Q96GD4 4/20 0.66
EGFR P00533 8/20 0.58
MAPK14 Q16539 5/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 1/20 0.56
GMNN O75496 1/20 0.56
ALDH1A1 P00352 1/20 0.56
ABL1 P00519 1/20 0.56
LMNA P02545 1/20 0.56
RAF1 P04049 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
GLA P06280 1/20 0.56
CYP3A4 P08684 1/20 0.56
FBP1 P09467 1/20 0.56
CYP2D6 P10635 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
SCHEMBL5652035 0.90 AURKA (0.68) KDRAURKAAURKBEGFRMAPK14
SCHEMBL5651730 0.90 AURKB (0.81) KDRAURKAAURKBEGFRMAPK14
SCHEMBL5023471 0.90 KDR (0.74) KDRAURKAAURKBEGFRMAPK14
Hydrochloric Acid SCHEMBL2463942 0.89 AURKB (0.80) KDRAURKAAURKBEGFRMAPK14
SCHEMBL5023544 0.88 AURKA (0.67) KDRAURKAAURKBEGFRMAPK14
SCHEMBL5023489 0.87 AURKA (0.78) KDRAURKAAURKBEGFRMAPK14
SCHEMBL5650776 0.87 AURKA (0.71) KDRAURKAAURKBEGFRMAPK14
SCHEMBL5091097 0.86 AURKA (0.70) KDRAURKAAURKBEGFRMAPK14
SCHEMBL5649152 0.85 AURKA (0.69) KDRAURKAAURKBEGFRMAPK14
SCHEMBL5653702 0.84 AURKA (0.71) KDRAURKAAURKBEGFRMAPK14

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 7 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-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US 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
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 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 3166/4885AURKA 376/4885AURKB 642/4885

“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.