SCHEMBL4090801

SCHEMBL4090801

Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3N)s2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.77
PDGFRB P09619 12/20 0.77
HDAC3 O15379 11/20 0.77
KDR P35968 11/20 0.77
HDAC4 P56524 11/20 0.77
HDAC1 Q13547 11/20 0.77
HDAC7 Q8WUI4 11/20 0.77
HDAC2 Q92769 11/20 0.77
HDAC10 Q969S8 11/20 0.77
HDAC11 Q96DB2 11/20 0.77
HDAC8 Q9BY41 11/20 0.77
HDAC6 Q9UBN7 11/20 0.77
HDAC9 Q9UKV0 11/20 0.77
HDAC5 Q9UQL6 11/20 0.77
BCR P11274 4/20 0.60
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL6520385 0.92 ABL1 (0.75) ABL1PDGFRBHDAC3KDRHDAC4
SCHEMBL4077744 0.88 ABL1 (0.75) ABL1PDGFRBHDAC3KDRHDAC4
SCHEMBL8474507 0.87 ABL1 (0.78) ABL1PDGFRBHDAC3KDRHDAC4
SCHEMBL4087670 0.87 ABL1 (0.58) ABL1PDGFRBHDAC3KDRHDAC4
SCHEMBL4087488 0.85 ABL1 (0.80) ABL1PDGFRBHDAC3KDRHDAC4
SCHEMBL4090799 0.84 ABL1 (0.56) ABL1PDGFRBHDAC3KDRHDAC4
SCHEMBL1096984 0.83 ABL1 (0.75) ABL1PDGFRBHDAC3KDRHDAC4
SCHEMBL715902 0.83 ABL1 (0.75) ABL1PDGFRBHDAC3KDRHDAC4
SCHEMBL717063 0.82 ABL1 (0.64) ABL1PDGFRBHDAC3KDRHDAC4
SCHEMBL716168 0.82 ABL1 (0.75) ABL1PDGFRBHDAC3KDRHDAC4

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 2334/4885HDAC3 18/4885

“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.