SCHEMBL303311

SCHEMBL303311

Cc1ncc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1-c1ccc(F)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
JAK2 O60674 3/20 0.41
JAK3 P52333 3/20 0.41
SCN9A Q15858 6/20 0.38
BRD9 Q9H8M2 2/20 0.37
BRD4 O60885 1/20 0.37
FAAH O00519 4/20 0.36
SMO Q99835 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KAT2B Q92831 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34

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 0.91 JAK2 (0.44) PTGDR2JAK2JAK3SCN9ABRD9
SCHEMBL302855 0.85 PTGDR2 (0.41) PTGDR2JAK2JAK3SCN9ABRD9
SCHEMBL21819911 0.84 JAK2 (0.39) PTGDR2JAK2JAK3SCN9ACYP11B1
SCHEMBL1922408 0.83 JAK3 (0.38) PTGDR2JAK2JAK3SCN9ABRD9
SCHEMBL1922726 0.81 JAK2 (0.45) PTGDR2JAK2JAK3SCN9ABRD9
SCHEMBL305387 0.81 JAK2 (0.37) PTGDR2JAK2JAK3SCN9ABRD9
SCHEMBL302338 0.81 SCN9A (0.41) SCN9A
SCHEMBL1921821 0.80 JAK3 (0.37) PTGDR2JAK2JAK3BRD9BRD4
SCHEMBL1921489 0.80 FAAH (0.40) PTGDR2JAK2JAK3FAAH
SCHEMBL1922156 0.80 JAK2 (0.44) PTGDR2JAK2JAK3SCN9ABRD9

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 PTGDR2 1891/4885JAK2 570/4885JAK3 1093/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO PTGDR2 1725/4885JAK2 303/4885JAK3 512/4885

“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.