SCHEMBL13604740

SCHEMBL13604740

CCOc1cc2c(Nc3ccccc3)ncnc2cc1O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.66
KDR P35968 3/20 0.66
RET P07949 2/20 0.66
LCK P06239 1/20 0.64
FBP1 P09467 5/20 0.63
AURKA O14965 2/20 0.63
ERBB2 P04626 2/20 0.62
ERBB4 Q15303 2/20 0.62
AURKB Q96GD4 2/20 0.61
RAF1 P04049 1/20 0.58
BRAF P15056 1/20 0.58
KIF5B P33176 1/20 0.57

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
SCHEMBL13604745 0.87 EGFR (0.82) EGFRKDRRETLCKAURKA
SCHEMBL13604741 0.86 EGFR (0.85) EGFRKDRRETLCKFBP1
SCHEMBL13404529 0.84 EGFR (0.64) EGFRKDRRETLCKAURKA
SCHEMBL4477758 0.83 EGFR (0.77) EGFRKDRRETLCKFBP1
SCHEMBL5239599 0.83 EGFR (0.80) EGFRKDRRETLCKAURKA
SCHEMBL5565577 0.82 FGFR1 (0.78) EGFRKDRRETFBP1ERBB2
SCHEMBL1985296 0.82 EGFR (0.74) EGFRKDRRETLCKAURKA
SCHEMBL14388116 0.81 FBP1 (0.59) EGFRKDRRETFBP1ERBB2
SCHEMBL7991171 0.81 EGFR (0.50) EGFRKDRRETLCKFBP1
Hydrochloric Acid SCHEMBL8811939 0.81 EGFR (0.71) EGFRKDRRETLCKFBP1

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.