SCHEMBL4087490

SCHEMBL4087490

Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.66
BCR P11274 13/20 0.66
PDGFRB P09619 7/20 0.66
HDAC3 O15379 4/20 0.66
KDR P35968 4/20 0.66
HDAC4 P56524 4/20 0.66
HDAC1 Q13547 4/20 0.66
HDAC7 Q8WUI4 4/20 0.66
HDAC2 Q92769 4/20 0.66
HDAC10 Q969S8 4/20 0.66
HDAC11 Q96DB2 4/20 0.66
HDAC8 Q9BY41 4/20 0.66
HDAC6 Q9UBN7 4/20 0.66
HDAC9 Q9UKV0 4/20 0.66
HDAC5 Q9UQL6 4/20 0.66
PDGFRA P16234 3/20 0.62
EGFR P00533 2/20 0.62
ERBB2 P04626 1/20 0.62
LCK P06239 1/20 0.62
FYN P06241 1/20 0.62

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
SCHEMBL4087458 0.94 ABL1 (0.60) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL4087670 0.92 ABL1 (0.58) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL4832910 0.90 GAA (0.64) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL3808668 0.90 ABL1 (0.56) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL717043 0.89 ABL1 (0.67) ABL1BCRPDGFRBHDAC3KDR
Water SCHEMBL4086225 0.89 NPC1 (0.58) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL714758 0.87 ABL1 (0.73) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL1096984 0.87 ABL1 (0.75) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL6520385 0.86 ABL1 (0.75) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL715237 0.86 ABL1 (0.75) ABL1BCRPDGFRBHDAC3KDR

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 2 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
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 783/4885BCR 862/4885PDGFRB 2334/4885

“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.