SCHEMBL4087634

SCHEMBL4087634

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)NCc2ccc(Cl)c(Nc3nccc(-c4cccnc4)n3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 11/20 0.58
PDGFRB P09619 4/20 0.58
KIT P10721 6/20 0.54
ABL1 P00519 6/20 0.52
HDAC3 O15379 4/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
KDR P35968 2/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCOR1 O75376 3/20 0.52
CYP3A4 P08684 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
BCR P11274 4/20 0.50

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
SCHEMBL4077824 0.89 PDGFRA (0.74) PDGFRAPDGFRBKITABL1HDAC1
SCHEMBL4087636 0.85 ABL1 (0.61) PDGFRAPDGFRBKITABL1HDAC3
SCHEMBL4092111 0.82 ABL1 (0.78) PDGFRAPDGFRBKITABL1HDAC3
SCHEMBL3660909 0.81 ABL1 (0.70) PDGFRAPDGFRBABL1HDAC3HDAC2
SCHEMBL17154005 0.79 HDAC1 (0.65) PDGFRAPDGFRBKITABL1HDAC3
SCHEMBL4082832 0.77 ABL1 (0.77) PDGFRAPDGFRBKITABL1HDAC3
SCHEMBL13996782 0.75 PDGFRA (0.78) PDGFRAPDGFRBKITABL1KDR
SCHEMBL4084979 0.74 PDGFRB (0.82) PDGFRAPDGFRBKITABL1HDAC3
SCHEMBL2828638 0.73 NAMPT (0.61) HDAC1
SCHEMBL17154006 0.73 HDAC1 (0.57) PDGFRAPDGFRBKITABL1HDAC3

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 PDGFRA 2510/4885PDGFRB 2334/4885KIT 1305/4885

“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.