SCHEMBL6483328

SCHEMBL6483328

C#Cc1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2s1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 0.67
EGFR P00533 5/20 0.53
KDR P35968 5/20 0.45
MET P08581 3/20 0.45
GAA P10253 2/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL8558474 0.80 ERBB2 (1.00) ERBB2EGFRKDRMET
SCHEMBL6485329 0.80 ERBB2 (0.56) ERBB2EGFRKDRGAAPKM
Hydrochloric Acid SCHEMBL8893650 0.80 ERBB2 (0.98) ERBB2EGFRKDRMET
SCHEMBL1163972 0.76 EGFR (0.64) ERBB2EGFRGAAKDM4EMAPT
SCHEMBL8555757 0.75 ERBB2 (1.00) ERBB2EGFRKDR
Hydrochloric Acid SCHEMBL8894722 0.74 ERBB2 (0.98) ERBB2EGFRKDR
SCHEMBL8558469 0.73 ERBB2 (0.85) ERBB2EGFRKDRMETGAA
SCHEMBL6485315 0.73 ERBB2 (0.61) ERBB2EGFRMAPTTDP1MAPK1
Hydrochloric Acid SCHEMBL8893639 0.72 ERBB2 (0.84) ERBB2EGFRKDRMETGAA
SCHEMBL7126252 0.71 ERBB2 (0.70) ERBB2EGFR

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 ERBB2 1/4885EGFR 20/4885KDR 485/4885

“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.