SCHEMBL6520385

SCHEMBL6520385

Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.75
PDGFRB P09619 12/20 0.75
HDAC1 Q13547 11/20 0.75
HDAC3 O15379 10/20 0.75
KDR P35968 10/20 0.75
HDAC4 P56524 10/20 0.75
HDAC7 Q8WUI4 10/20 0.75
HDAC2 Q92769 10/20 0.75
HDAC10 Q969S8 10/20 0.75
HDAC11 Q96DB2 10/20 0.75
HDAC8 Q9BY41 10/20 0.75
HDAC6 Q9UBN7 10/20 0.75
HDAC9 Q9UKV0 10/20 0.75
HDAC5 Q9UQL6 10/20 0.75
BCR P11274 7/20 0.70
EGFR P00533 2/20 0.67
PDGFRA P16234 2/20 0.67
ERBB2 P04626 1/20 0.67
LCK P06239 1/20 0.67
FYN P06241 1/20 0.67

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
SCHEMBL8474507 0.94 ABL1 (0.78) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL4090801 0.92 ABL1 (0.77) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL715902 0.91 ABL1 (0.75) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL1096984 0.90 ABL1 (0.75) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL715237 0.90 ABL1 (0.75) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL4087640 0.89 ABL1 (0.82) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL3794413 0.89 ABL1 (0.76) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL714756 0.89 ABL1 (0.76) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL715666 0.89 ABL1 (0.76) ABL1PDGFRBHDAC1HDAC3KDR
SCHEMBL716168 0.89 ABL1 (0.75) ABL1PDGFRBHDAC1HDAC3KDR

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 4 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
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.