SCHEMBL6486502

SCHEMBL6486502

CS(=O)(=O)CCNCc1ccc(C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)o1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.78
ERBB2 P04626 16/20 0.78
ABCB11 O95342 2/20 0.68
MEN1 O00255 1/20 0.68
PIK3C2B O00750 1/20 0.68
MAP2K7 O14733 1/20 0.68
RIPK2 O43353 1/20 0.68
PIK3C2G O75747 1/20 0.68
STK10 O94804 1/20 0.68
ABL1 P00519 1/20 0.68
INSR P06213 1/20 0.68
RET P07949 1/20 0.68
CYP3A4 P08684 1/20 0.68
PDGFRB P09619 1/20 0.68
SRC P12931 1/20 0.68
CYP3A5 P20815 1/20 0.68
ERBB3 P21860 1/20 0.68
CDK2 P24941 1/20 0.68
KMT2A Q03164 1/20 0.68
KCNH2 Q12809 1/20 0.68

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
Hydrochloric Acid SCHEMBL6486038 0.89 EGFR (0.70) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL3969656 0.86 EGFR (0.79) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL6826987 0.84 EGFR (0.64) EGFRERBB2ERBB4
SCHEMBL6496833 0.84 EGFR (0.64) EGFRERBB2ERBB4
SCHEMBL6484690 0.82 EGFR (0.71) EGFRERBB2ERBB4
SCHEMBL14264605 0.81 EGFR (0.90) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL29464189 0.81 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL29351024 0.81 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL16766960 0.81 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL8100 0.81 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B

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
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 1/4885ABCB11 1817/4885

“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.