SCHEMBL6487017

SCHEMBL6487017

CC(C)(C)N(CC#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.68
ERBB2 P04626 12/20 0.57
HDAC3 O15379 1/20 0.53
ABL1 P00519 1/20 0.53
INSR P06213 1/20 0.53
PDGFRB P09619 1/20 0.53
CDK2 P24941 1/20 0.53
PLK1 P53350 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
GAK O14976 1/20 0.52

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
SCHEMBL6484507 0.90 EGFR (0.63) EGFRERBB2
SCHEMBL6493360 0.88 EGFR (0.66) EGFRERBB2HDAC3ABL1INSR
SCHEMBL6498007 0.88 EGFR (0.76) EGFRERBB2GAK
SCHEMBL6496763 0.86 EGFR (0.73) EGFRERBB2GAK
SCHEMBL6496915 0.85 EGFR (0.69) EGFRERBB2HDAC3ABL1INSR
SCHEMBL6486121 0.85 EGFR (0.70) EGFRERBB2
SCHEMBL6487016 0.85 EGFR (0.77) EGFRERBB2GAK
SCHEMBL6493362 0.85 EGFR (0.72) EGFRERBB2HDAC3ABL1INSR
SCHEMBL6483126 0.85 EGFR (0.79) EGFRERBB2GAK
SCHEMBL6483295 0.84 EGFR (0.80) 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 1 patent. 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 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 1/4885HDAC3 4845/4885

“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.