SCHEMBL303355

SCHEMBL303355

Cc1ccc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1Oc1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.37
JAK3 P52333 5/20 0.37
HTR2C P28335 6/20 0.37
HTR2B P41595 5/20 0.37
BRD4 O60885 2/20 0.36
EP300 Q09472 1/20 0.36
BRD9 Q9H8M2 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SCN9A Q15858 1/20 0.33
P2RY1 P47900 1/20 0.33
SYK P43405 1/20 0.33
FAAH O00519 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL304003 0.86 PTGDR2 (0.39) JAK2JAK3BRD4EP300BRD9
SCHEMBL302357 0.86 ERBB2 (0.37) JAK2JAK3HTR2CHTR2BBRD4
SCHEMBL1921909 0.86 JAK2 (0.36) JAK2JAK3HTR2CHTR2BBRD4
SCHEMBL303642 0.83 JAK2 (0.39) JAK2JAK3BRD4BRD9SCN9A
SCHEMBL302886 0.82 CTSV (0.41) JAK2JAK3USP2MAPTHTT
SCHEMBL306403 0.79 POLB (0.51) MAPTHTT
SCHEMBL303677 0.78 PTGDR2 (0.40) JAK2JAK3BRD4BRD9MAPT
SCHEMBL303061 0.78 JAK2 (0.38) JAK2JAK3BRD4BRD9SYK
SCHEMBL304705 0.77 JAK2 (0.40) JAK2JAK3MAPTSCN9ASYK
SCHEMBL1922599 0.77 JAK2 (0.35) JAK2JAK3SCN9ASYKPTGDR2

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 20 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
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP disclosed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO 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 JAK2 570/4885JAK3 1093/4885HTR2C 3610/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO JAK2 303/4885JAK3 512/4885HTR2C 3626/4885

“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.