SCHEMBL13604745

SCHEMBL13604745

COc1cc2c(Nc3ccccc3)ncnc2cc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.82
KDR P35968 6/20 0.82
RET P07949 6/20 0.82
LCK P06239 3/20 0.80
AURKB Q96GD4 3/20 0.77
AURKA O14965 2/20 0.77
RAF1 P04049 1/20 0.74
BRAF P15056 1/20 0.74
KIF5B P33176 3/20 0.70
RIPK2 O43353 2/20 0.70
GAK O14976 1/20 0.70
STK10 O94804 1/20 0.70
FLT3 P36888 1/20 0.70
JAK3 P52333 1/20 0.70
AAK1 Q2M2I8 1/20 0.70
Q6ZSR9 Q6ZSR9 1/20 0.70
SLK Q9H2G2 1/20 0.70
IRAK4 Q9NWZ3 1/20 0.70
RPS6KA6 Q9UK32 1/20 0.70
ALK Q9UM73 1/20 0.70

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
SCHEMBL5239599 0.96 EGFR (0.80) EGFRKDRRETLCKAURKB
SCHEMBL29515328 0.90 EGFR (1.00) EGFRKDRRETLCKKIF5B
SCHEMBL1257431 0.90 EGFR (1.00) EGFRKDRRETLCKKIF5B
SCHEMBL20792806 0.89 EGFR (0.87) EGFRKDRRETLCKAURKB
Hydrochloric Acid SCHEMBL5475737 0.89 EGFR (1.00) EGFRKDRRETLCKRIPK2
SCHEMBL6674055 0.89 KDR (0.82) EGFRKDRRETLCKAURKB
SCHEMBL2100551 0.89 EGFR (0.82) EGFRKDRRETLCKAURKB
SCHEMBL6675906 0.88 KDR (0.73) EGFRKDRRETLCKAURKB
SCHEMBL14159636 0.88 KDR (0.73) EGFRKDRRETLCKAURKB
SCHEMBL10101988 0.88 EGFR (0.82) EGFRKDRRETLCKAURKB

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-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US disclosed
US-7569577-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-08-04 US disclosed
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-20070032513-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2007-02-08 US 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 (3 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-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR EGFR 3/4885KDR 225/4885RET 51/4885
US-20070032513-A1 Quinazoline derivatives ERBB2, EGFR, ABL1 EGFR 2/4885KDR 124/4885RET 56/4885
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ERBB2, ABL1, EGFR EGFR 3/4885KDR 180/4885RET 30/4885

“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.