SCHEMBL6500259

SCHEMBL6500259

CC(N)C#Cc1cc2ncnc(Nc3ccc(Oc4cccc5ccccc45)c(Cl)c3)c2s1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.54
ERBB2 P04626 18/20 0.46
ERBB4 Q15303 4/20 0.46
ERBB3 P21860 3/20 0.44
ESRRA P11474 1/20 0.43

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
SCHEMBL6500261 1.00 EGFR (0.54) EGFRERBB2ERBB4ERBB3ESRRA
SCHEMBL6233364 0.82 EGFR (0.69) EGFRERBB2ERBB4
SCHEMBL6233371 0.82 EGFR (0.69) EGFRERBB2ERBB4
Hydrochloric Acid SCHEMBL6239229 0.82 EGFR (0.49) EGFRERBB2ERBB4ERBB3ESRRA
SCHEMBL6235597 0.81 EGFR (0.69) EGFRERBB2
SCHEMBL6488925 0.80 EGFR (0.79) EGFRERBB2ERBB4
SCHEMBL6481914 0.80 EGFR (0.79) EGFRERBB2ERBB4
SCHEMBL6481918 0.80 EGFR (0.79) EGFRERBB2ERBB4
SCHEMBL6498999 0.76 FLT1 (0.41) EGFRERBB2ERBB4
SCHEMBL6483578 0.74 EGFR (0.60) EGFRERBB2ERBB4

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 6 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
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 US disclosed
EP-1463507-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SmithKline Beecham Corporation (US) 2004-10-06 EP 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 1/4885ERBB4 2/4885

“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.