SCHEMBL302338

SCHEMBL302338

Cc1ccc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1-c1ccc(C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.41
SCN5A Q14524 2/20 0.40
TEAD1 P28347 1/20 0.38
TEAD4 Q15561 1/20 0.38
TEAD2 Q15562 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KA5 O75582 1/20 0.38
RPS6KA4 O75676 1/20 0.38
KIT P10721 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
FLT3 P36888 1/20 0.38
RPS6KA3 P51812 1/20 0.38
RPS6KA2 Q15349 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
RPS6KA6 Q9UK32 1/20 0.38

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
SCHEMBL303148 0.90 JAK2 (0.44) SCN9ACHEK1AURKARPS6KA5RPS6KA4
SCHEMBL1922408 0.89 JAK3 (0.38) SCN9ACHEK1AURKARPS6KA5RPS6KA4
SCHEMBL305387 0.87 JAK2 (0.37) SCN9A
SCHEMBL302503 0.87 TEAD1 (0.42) SCN9ASCN5ATEAD1TEAD4TEAD2
SCHEMBL304368 0.86 JAK2 (0.42) SCN9ASCN5ATEAD1TEAD4TEAD2
SCHEMBL1921821 0.86 JAK3 (0.37) CHEK1AURKARPS6KA5RPS6KA4KIT
SCHEMBL302411 0.86 JAK3 (0.40) SCN9ACHEK1AURKARPS6KA5RPS6KA4
SCHEMBL1921506 0.86 SCN9A (0.39) SCN9A
SCHEMBL305291 0.85 FASN (0.37) SCN9AIRAK4
SCHEMBL303642 0.84 JAK2 (0.39) SCN9ASCN5A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP claimed
CN-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 CN 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
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP 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-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
CN-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 CN 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-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 SCN9A 2283/4885SCN5A 2218/4885TEAD1 201/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO SCN9A 2099/4885SCN5A 2190/4885TEAD1 255/4885

“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.