SCHEMBL6977418

SCHEMBL6977418

Fc1cccc(COc2ccc(Nc3ncnc4ccccc34)cc2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.75
GAK O14976 1/20 0.75
ERBB2 P04626 14/20 0.72
ERBB4 Q15303 2/20 0.71
ERBB3 P21860 1/20 0.71

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
SCHEMBL14509726 0.89 EGFR (0.75) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL2505296 0.89 EGFR (0.77) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL2510931 0.89 EGFR (0.75) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL233913 0.89 EGFR (0.77) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL28407550 0.89 EGFR (0.80) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL17083347 0.88 EGFR (0.74) EGFRGAKERBB2ERBB4
SCHEMBL141514 0.88 EGFR (0.73) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL9973598 0.88 EGFR (0.73) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL14878664 0.88 EGFR (0.79) EGFRGAKERBB2ERBB4ERBB3
SCHEMBL12691367 0.88 EGFR (0.76) EGFRGAKERBB2ERBB4ERBB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590966-A1 QUINAZOLINE COMPOUNDS Hutchison Medipharma Limited (CN) 2013-05-15 EP claimed
WO-2012000356-A1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-01-05 WO claimed
EP-1854789-B1 QUINAZOLINE DERIVATIVE HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2013-10-09 EP disclosed
EP-2590966-A1 QUINAZOLINE COMPOUNDS Hutchison Medipharma Limited (CN) 2013-05-15 EP disclosed
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
WO-2012000356-A1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-01-05 WO disclosed
US-20110212475-A1 Fluorescently Or Spin-Labeled Kinases For Rapid Screening And Identification Of Novel Kinase Inhibitor Scaffolds MAX-PLANCK GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2011-09-01 US disclosed
US-20110212475-A1 Fluorescently Or Spin-Labeled Kinases For Rapid Screening And Identification Of Novel Kinase Inhibitor Scaffolds MAX-PLANCK GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2011-09-01 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 EGFR 2/4885GAK 340/4885ERBB2 1/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 EGFR 2/4885GAK 340/4885ERBB2 1/4885

“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.