SCHEMBL4087504

SCHEMBL4087504

Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3N)nc2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.81
PDGFRB P09619 9/20 0.81
HDAC1 Q13547 5/20 0.81
HDAC3 O15379 4/20 0.81
KDR P35968 4/20 0.81
HDAC4 P56524 4/20 0.81
HDAC7 Q8WUI4 4/20 0.81
HDAC2 Q92769 4/20 0.81
HDAC10 Q969S8 4/20 0.81
HDAC11 Q96DB2 4/20 0.81
HDAC8 Q9BY41 4/20 0.81
HDAC6 Q9UBN7 4/20 0.81
HDAC9 Q9UKV0 4/20 0.81
HDAC5 Q9UQL6 4/20 0.81
BCR P11274 6/20 0.75
PDGFRA P16234 12/20 0.73
EGFR P00533 1/20 0.73
PRKCA P17252 1/20 0.73
KIT P10721 5/20 0.69

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 0.94 ABL1 (0.84) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL4087488 0.87 ABL1 (0.80) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL4084979 0.86 PDGFRB (0.82) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL4089834 0.86 ABL1 (1.00) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL8474507 0.86 ABL1 (0.78) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL3219611 0.86 PDGFRA (0.83) ABL1PDGFRBKDRBCRPDGFRA
SCHEMBL4086519 0.86 ABL1 (0.68) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL11927842 0.86 ABL1 (1.00) ABL1PDGFRBKDRBCRPDGFRA
SCHEMBL2004455 0.85 PDGFRA (0.91) ABL1PDGFRBKDRBCRPDGFRA
SCHEMBL3230669 0.85 PDGFRA (0.81) ABL1PDGFRBKDRBCRPDGFRA

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
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 783/4885PDGFRB 2334/4885HDAC1 1/4885

“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.