SCHEMBL3660909

SCHEMBL3660909

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.70
BCR P11274 15/20 0.70
PDGFRB P09619 10/20 0.70
PDGFRA P16234 9/20 0.70
PRKCA P17252 7/20 0.70
SRC P12931 6/20 0.70
PRKCD Q05655 3/20 0.70
PRKD3 O94806 1/20 0.70
PRKCG P05129 1/20 0.70
PRKCB P05771 1/20 0.70
PRKCH P24723 1/20 0.70
PRKCI P41743 1/20 0.70
PRKCE Q02156 1/20 0.70
PRKCQ Q04759 1/20 0.70
PRKCZ Q05513 1/20 0.70
PRKD1 Q15139 1/20 0.70
ABL2 P42684 2/20 0.67
EGFR P00533 2/20 0.61
HDAC1 Q13547 2/20 0.60
HDAC3 O15379 1/20 0.59

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 0.90 PDGFRA (0.74) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL4082832 0.89 ABL1 (0.77) ABL1BCRPDGFRBPDGFRAPRKCA
Water SCHEMBL4086225 0.84 NPC1 (0.58) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL4086310 0.84 HDAC1 (0.84) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL13996782 0.84 PDGFRA (0.78) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL9197 0.83 ABL1 (1.00) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL9763 0.83 ABL1 (1.00) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL4092111 0.82 ABL1 (0.78) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL4901151 0.82 ABL1 (0.80) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL20998651 0.82 ABL1 (0.83) ABL1BCRPDGFRBPDGFRAPRKCA

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
EP-2220042-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2010-08-25 EP 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

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.