SCHEMBL303598

SCHEMBL303598

Cc1ccc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1-c1cnn(C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.47
CREBBP Q92793 4/20 0.47
SCN9A Q15858 1/20 0.42
BRD9 Q9H8M2 3/20 0.40
PIK3CG P48736 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
KAT2B Q92831 1/20 0.38
IRAK1 P51617 6/20 0.37
IRAK4 Q9NWZ3 4/20 0.37
AXL P30530 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
JAK2 O60674 2/20 0.37
JAK3 P52333 2/20 0.37
PIK3CA P42336 1/20 0.36

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
SCHEMBL303677 0.87 PTGDR2 (0.40) BRD4BRD9JAK2JAK3
SCHEMBL305390 0.85 PTGDR2 (0.39) BRD4SCN9ABRD9JAK2JAK3
SCHEMBL303566 0.84 PTGDR2 (0.44) SCN9AJAK2JAK3
SCHEMBL302253 0.84 JAK3 (0.37) BRD4CREBBPSCN9ABRD9KAT2B
SCHEMBL302332 0.83 JAK3 (0.41) BRD4SCN9ABRD9KAT2BIRAK4
SCHEMBL302411 0.83 JAK3 (0.40) BRD4SCN9ABRD9KAT2BIRAK4
SCHEMBL1922726 0.83 JAK2 (0.45) BRD4SCN9ABRD9KAT2BIRAK4
SCHEMBL1922138 0.83 LMNA (0.37) BRD4SCN9ABRD9JAK2JAK3
SCHEMBL305142 0.83 MAPK14 (0.38) BRD4SCN9ABRD9JAK2JAK3
SCHEMBL302157 0.83 PTGDR2 (0.39) BRD4CREBBPSCN9ABRD9MTOR

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP claimed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US claimed
JP-2012500853-A 2012-01-12 JP claimed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US claimed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP claimed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO claimed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US 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 (2 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-20130296333-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO BRD4 520/4885CREBBP 129/4885SCN9A 2283/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO BRD4 622/4885CREBBP 514/4885SCN9A 2099/4885

“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.