SCHEMBL6497370

SCHEMBL6497370

C[C@@H](N)C#Cc1cc2ncnc(Nc3ccc4[nH]c(Cc5ccccc5)nc4c3)c2s1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 0.53
EGFR P00533 10/20 0.47
FLT1 P17948 9/20 0.47
KDR P35968 2/20 0.47
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6497364 1.00 ERBB2 (0.53) ERBB2EGFRFLT1KDRKDM4E
SCHEMBL6483679 0.91 EGFR (0.51) ERBB2EGFR
SCHEMBL6483676 0.91 EGFR (0.51) ERBB2EGFR
SCHEMBL6498655 0.89 EGFR (0.41) ERBB2EGFRFLT1KDR
SCHEMBL6498661 0.89 EGFR (0.41) ERBB2EGFRFLT1KDR
SCHEMBL6485329 0.86 ERBB2 (0.56) ERBB2EGFRFLT1KDRKDM4E
Hydrochloric Acid SCHEMBL6483348 0.86 ERBB2 (0.47) ERBB2EGFRFLT1KDR
SCHEMBL6484671 0.86 FLT1 (0.49) ERBB2EGFRFLT1KDR
SCHEMBL6484674 0.86 FLT1 (0.49) ERBB2EGFRFLT1KDR
SCHEMBL6496925 0.83 ERBB2 (0.49) ERBB2EGFRFLT1KDR

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 2 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
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 US 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 20/4885FLT1 561/4885

“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.