SCHEMBL4587900

SCHEMBL4587900

C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
ERBB2 P04626 11/20 0.71
GAK O14976 1/20 0.63
ERBB3 P21860 1/20 0.59
ERBB4 Q15303 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
SCHEMBL6487865 0.89 EGFR (0.80) EGFRERBB2GAKERBB3ERBB4
SCHEMBL6483295 0.88 EGFR (0.80) EGFRERBB2GAKERBB3ERBB4
SCHEMBL6483126 0.88 EGFR (0.79) EGFRERBB2GAK
SCHEMBL6488644 0.87 EGFR (0.77) EGFRERBB2GAK
SCHEMBL6483980 0.87 EGFR (0.78) EGFRERBB2GAK
SCHEMBL4586899 0.87 EGFR (0.77) EGFRERBB2ERBB4
SCHEMBL4587145 0.86 EGFR (1.00) EGFRERBB2GAKERBB3ERBB4
SCHEMBL6498007 0.86 EGFR (0.76) EGFRERBB2GAKERBB3ERBB4
Hydrochloric Acid SCHEMBL6241661 0.86 EGFR (0.98) EGFRERBB2GAKERBB3ERBB4
SCHEMBL6826984 0.85 EGFR (1.00) EGFRERBB2GAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 US claimed
EP-1463507-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SmithKline Beecham Corporation (US) 2004-10-06 EP claimed
WO-2003053446-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 WO claimed
EP-1585480-A4 ERBB4 CO-CRYSTAL SMITHKLINE BEECHAM CORP (US) 2008-12-03 EP disclosed
US-20060134768-A1 Erbb4 co-crystal SHEWCHUK LISA M 2006-06-22 US disclosed
EP-1585480-A2 ERBB4 CO-CRYSTAL SmithKline Beecham Corporation (US) 2005-10-19 EP disclosed
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 US disclosed
WO-2004112714-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-29 WO disclosed
EP-1463507-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SmithKline Beecham Corporation (US) 2004-10-06 EP disclosed
WO-2004066921-A2 ERBB4 CO-CRYSTAL SMITHKLINE BEECHAM CORPORATION (US) 2004-08-12 WO disclosed
WO-2003053446-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 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-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors ERBB2, ERBB4, ERBB3 EGFR 20/4885ERBB2 1/4885GAK 50/4885

“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.