SCHEMBL6980188

SCHEMBL6980188

Clc1cc(Nc2ncnc3ccccc23)ccc1OCc1ccccn1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.73
EGFR P00533 13/20 0.73
LCK P06239 1/20 0.72
ERBB3 P21860 1/20 0.71
ERBB4 Q15303 1/20 0.71
AURKA O14965 1/20 0.68
RPS6KB1 P23443 1/20 0.68
KCNH2 Q12809 4/20 0.61
ABCG2 Q9UNQ0 1/20 0.59

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
SCHEMBL5568971 0.89 ERBB2 (0.76) ERBB2EGFRLCKERBB3ERBB4
SCHEMBL9973619 0.89 ERBB2 (0.73) ERBB2EGFRLCKERBB3ERBB4
SCHEMBL30125866 0.89 ERBB2 (0.73) ERBB2EGFRLCKERBB3ERBB4
SCHEMBL2989878 0.89 ERBB2 (0.73) ERBB2EGFRLCKERBB3ERBB4
SCHEMBL17845956 0.89 ERBB2 (0.73) ERBB2EGFRLCKERBB3ERBB4
Hydrochloric Acid SCHEMBL17845945 0.89 ERBB2 (0.72) ERBB2EGFRLCKERBB3ERBB4
SCHEMBL27751265 0.89 ERBB2 (0.72) ERBB2EGFRLCKERBB3ERBB4
Hydrochloric Acid SCHEMBL29793455 0.89 ERBB2 (0.72) ERBB2EGFRLCKERBB3ERBB4
SCHEMBL5497053 0.88 ERBB2 (0.66) ERBB2EGFRLCKERBB3ERBB4
Hydrochloric Acid SCHEMBL11893854 0.88 ERBB2 (0.71) ERBB2EGFRLCKERBB3ERBB4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
EP-1854789-A1 QUINAZOLINE DERIVATIVE HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2007-11-14 EP 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 (2 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 ERBB2 1/4885EGFR 2/4885LCK 29/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 ERBB2 1/4885EGFR 2/4885LCK 29/4885

“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.