SCHEMBL304705

SCHEMBL304705

Cc1ccc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1-c1ncccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.40
JAK3 P52333 6/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
MAPK14 Q16539 1/20 0.37
SMO Q99835 1/20 0.36
NTRK1 P04629 1/20 0.36
CCNT1 O60563 3/20 0.35
CDK9 P50750 3/20 0.35
SCN9A Q15858 3/20 0.35
SCN5A Q14524 1/20 0.34
SYK P43405 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PIK3CA P42336 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KA5 O75582 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
SCHEMBL1922156 0.90 JAK2 (0.44) JAK2JAK3PTGDR2SCN9ASYK
SCHEMBL1921981 0.90 JAK2 (0.41) JAK2JAK3PTGDR2SMOCCNT1
SCHEMBL1921673 0.88 JAK2 (0.40) JAK2JAK3PTGDR2FNTAFNTB
SCHEMBL1922391 0.87 MAPK14 (0.33) FNTAFNTBMAPK14SCN9ASCN5A
SCHEMBL1922519 0.86 CDK4 (0.37) JAK2JAK3MAPK14POLBMAPT
SCHEMBL303642 0.85 JAK2 (0.39) JAK2JAK3PTGDR2MAPK14SCN9A
SCHEMBL1922726 0.85 JAK2 (0.45) JAK2JAK3PTGDR2CCNT1CDK9
SCHEMBL304898 0.84 PTGDR2 (0.41) JAK2JAK3PTGDR2CCNT1CDK9
SCHEMBL304998 0.83 P2RY1 (0.38) MAPK14POLBMAPT
SCHEMBL303148 0.83 JAK2 (0.44) JAK2JAK3PTGDR2SMOCCNT1

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 21 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
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
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-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 1093/4885PTGDR2 1891/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO JAK2 303/4885JAK3 512/4885PTGDR2 1725/4885

“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.