SCHEMBL6520644

SCHEMBL6520644

CC(C)(C)OC(=O)/C=C/c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)s1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.81
EGFR P00533 16/20 0.81
ABL1 P00519 9/20 0.81
INSR P06213 9/20 0.81
PDGFRB P09619 9/20 0.81
CDK2 P24941 9/20 0.81
PLK1 P53350 9/20 0.81
HDAC1 Q13547 6/20 0.81
HDAC8 Q9BY41 6/20 0.81
HDAC6 Q9UBN7 6/20 0.81
HDAC3 O15379 5/20 0.81
HDAC4 P56524 5/20 0.81
HDAC7 Q8WUI4 5/20 0.81
HDAC2 Q92769 5/20 0.81
HDAC10 Q969S8 5/20 0.81
HDAC11 Q96DB2 5/20 0.81
HDAC9 Q9UKV0 5/20 0.81
HDAC5 Q9UQL6 5/20 0.81
ERBB4 Q15303 1/20 0.59

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
SCHEMBL4082540 1.00 ERBB2 (0.81) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL4077796 0.91 ERBB2 (0.87) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL4077788 0.91 ERBB2 (0.87) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL12795269 0.90 ERBB2 (1.00) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL4082675 0.89 EGFR (0.80) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL4082670 0.89 EGFR (0.80) ERBB2EGFRABL1INSRPDGFRB
Hydrochloric Acid SCHEMBL4077525 0.89 ERBB2 (0.97) ERBB2EGFRABL1INSRPDGFRB
Hydrochloric Acid SCHEMBL4077522 0.89 ERBB2 (0.97) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL3798902 0.89 EGFR (0.80) ERBB2EGFRABL1INSRPDGFRB
SCHEMBL3798898 0.89 EGFR (0.80) ERBB2EGFRABL1INSRPDGFRB

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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 ERBB2 499/4885EGFR 1304/4885ABL1 783/4885

“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.