SCHEMBL4082796

SCHEMBL4082796

C#Cc1cccc(Nc2ncnc3ccc(OCc4ccc(C(=O)Nc5ccccc5N)cc4)cc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 1.00
▸ HDAC3 O15379 11/20 1.00
▸ EGFR P00533 11/20 1.00
▸ HDAC2 Q92769 8/20 1.00
▸ HDAC4 P56524 7/20 1.00
▸ HDAC7 Q8WUI4 7/20 1.00
▸ HDAC10 Q969S8 7/20 1.00
▸ HDAC11 Q96DB2 7/20 1.00
▸ HDAC8 Q9BY41 7/20 1.00
▸ HDAC6 Q9UBN7 7/20 1.00
▸ HDAC9 Q9UKV0 7/20 1.00
▸ HDAC5 Q9UQL6 7/20 1.00
▸ ERBB2 P04626 6/20 1.00
▸ ABL1 P00519 3/20 1.00
▸ PDGFRB P09619 3/20 1.00
▸ CDK2 P24941 3/20 1.00
▸ INSR P06213 2/20 1.00
▸ PLK1 P53350 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
SCHEMBL4084252 0.90 HDAC1 (0.81) HDAC1HDAC3EGFRHDAC2HDAC4
SCHEMBL3663540 0.88 EGFR (1.00) HDAC1HDAC3EGFRHDAC2HDAC4
SCHEMBL8470856 0.88 HDAC1 (0.82) HDAC1HDAC3EGFRHDAC2HDAC4
SCHEMBL6522921 0.88 EGFR (0.81) HDAC1HDAC3EGFRHDAC2HDAC4
SCHEMBL4079641 0.87 HDAC1 (1.00) HDAC1HDAC3EGFRHDAC2HDAC4
SCHEMBL10118507 0.86 EGFR (0.75) HDAC1HDAC3EGFRHDAC2HDAC4
SCHEMBL8209645 0.84 EGFR (0.72) HDAC1HDAC3EGFRHDAC2HDAC4
SCHEMBL10118517 0.83 HDAC3 (0.76) HDAC1HDAC3EGFRHDAC2HDAC4
SCHEMBL6527810 0.82 HDAC1 (1.00) HDAC1HDAC3EGFRHDAC2HDAC4
SCHEMBL4091527 0.81 HDAC3 (1.00) HDAC1HDAC3EGFRHDAC2HDAC4

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 8 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 claimed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 — — EP claimed
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
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 HDAC1 1/4885HDAC3 18/4885EGFR 1304/4885

“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.

Send feedback