SCHEMBL4082703

SCHEMBL4082703

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(COc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.77
▸ HDAC3 O15379 2/20 0.77
▸ ABL1 P00519 2/20 0.77
▸ ERBB2 P04626 2/20 0.77
▸ PDGFRB P09619 2/20 0.77
▸ CDK2 P24941 2/20 0.77
▸ HDAC4 P56524 2/20 0.77
▸ HDAC1 Q13547 2/20 0.77
▸ HDAC7 Q8WUI4 2/20 0.77
▸ HDAC2 Q92769 2/20 0.77
▸ HDAC10 Q969S8 2/20 0.77
▸ HDAC11 Q96DB2 2/20 0.77
▸ HDAC8 Q9BY41 2/20 0.77
▸ HDAC6 Q9UBN7 2/20 0.77
▸ HDAC9 Q9UKV0 2/20 0.77
▸ HDAC5 Q9UQL6 2/20 0.77
▸ INSR P06213 1/20 0.61
▸ RAF1 P04049 1/20 0.58
▸ KDR P35968 1/20 0.58
▸ MAP2K2 P36507 1/20 0.58

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
SCHEMBL8470331 0.92 EGFR (0.65) EGFRHDAC3ABL1ERBB2PDGFRB
SCHEMBL3663540 0.87 EGFR (1.00) EGFRHDAC3ABL1ERBB2PDGFRB
SCHEMBL4570083 0.85 EGFR (0.73) EGFRHDAC3ABL1ERBB2PDGFRB
SCHEMBL4082712 0.83 EGFR (0.63) EGFRHDAC3ABL1ERBB2PDGFRB
SCHEMBL3812376 0.82 EGFR (0.75) EGFRHDAC3ABL1ERBB2PDGFRB
SCHEMBL6522921 0.79 EGFR (0.81) EGFRHDAC3ABL1ERBB2PDGFRB
SCHEMBL8470856 0.78 HDAC1 (0.82) EGFRHDAC3ABL1ERBB2PDGFRB
SCHEMBL4082374 0.77 HDAC3 (0.74) EGFRHDAC3ABL1ERBB2PDGFRB
SCHEMBL4082796 0.76 HDAC1 (1.00) EGFRHDAC3ABL1ERBB2PDGFRB
SCHEMBL4084252 0.75 HDAC1 (0.81) EGFRHDAC3ABL1ERBB2PDGFRB

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
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 — — US disclosed
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 — — US disclosed
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 — — US disclosed
WO-2009063054-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2009-05-22 — — WO disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 — — EP 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 EGFR 1304/4885HDAC3 18/4885ABL1 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.

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