SCHEMBL4089834

SCHEMBL4089834

Cc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 1.00
HDAC1 Q13547 6/20 1.00
HDAC2 Q92769 6/20 1.00
HDAC3 O15379 6/20 1.00
PDGFRB P09619 6/20 1.00
HDAC11 Q96DB2 4/20 1.00
HDAC8 Q9BY41 4/20 1.00
HDAC6 Q9UBN7 4/20 1.00
KDR P35968 4/20 1.00
HDAC4 P56524 3/20 1.00
HDAC7 Q8WUI4 3/20 1.00
HDAC10 Q969S8 3/20 1.00
HDAC9 Q9UKV0 3/20 1.00
HDAC5 Q9UQL6 3/20 1.00
NCOR1 O75376 3/20 0.76
CYP3A4 P08684 1/20 0.76
NCOR2 Q9Y618 1/20 0.76
PDGFRA P16234 10/20 0.72
KIT P10721 6/20 0.72
BCR P11274 4/20 0.70

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
SCHEMBL4077519 0.91 ABL1 (0.84) ABL1HDAC1HDAC2HDAC3PDGFRB
SCHEMBL4092111 0.88 ABL1 (0.78) ABL1HDAC1HDAC2HDAC3PDGFRB
Mocetinostat SCHEMBL29454790 0.87 HDAC1 (1.00) ABL1HDAC1HDAC2HDAC3PDGFRB
Mocetinostat SCHEMBL29534132 0.87 HDAC1 (1.00) ABL1HDAC1HDAC2HDAC3PDGFRB
Mocetinostat SCHEMBL157027 0.87 HDAC1 (1.00) ABL1HDAC1HDAC2HDAC3PDGFRB
SCHEMBL4082083 0.86 ABL1 (0.75) ABL1HDAC1HDAC2HDAC3PDGFRB
Mocetinostat SCHEMBL29379811 0.86 HDAC1 (0.98) ABL1HDAC1HDAC2HDAC3PDGFRB
SCHEMBL4087504 0.86 ABL1 (0.81) ABL1HDAC1HDAC2HDAC3PDGFRB
SCHEMBL3716810 0.85 ABL1 (0.73) ABL1HDAC1HDAC2HDAC3PDGFRB
SCHEMBL212577 0.84 HDAC1 (1.00) ABL1HDAC1HDAC2HDAC3PDGFRB

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 6 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
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 ABL1 783/4885HDAC1 1/4885HDAC2 4/4885

“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.