SCHEMBL303036

SCHEMBL303036

Cc1cccc(-c2cc(Nc3cccc4c3CCN(S(C)(=O)=O)C4)ccc2C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.37
JAK2 O60674 8/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
SYK P43405 1/20 0.36
BRD9 Q9H8M2 3/20 0.35
BRD4 O60885 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDK9 P50750 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
EGFR P00533 1/20 0.33
BTK Q06187 1/20 0.33
KAT2B Q92831 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KA5 O75582 1/20 0.33
RPS6KA4 O75676 1/20 0.33
KIT P10721 1/20 0.33
RPS6KB1 P23443 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
SCHEMBL306380 0.91 CDK9 (0.43) JAK3JAK2PTGDR2SYKBRD9
SCHEMBL1922599 0.89 JAK2 (0.35) JAK3JAK2PTGDR2SYK
SCHEMBL303642 0.88 JAK2 (0.39) JAK3JAK2PTGDR2SYKBRD9
SCHEMBL1921436 0.88 PTGDR2 (0.36) JAK3JAK2PTGDR2SYKBRD9
SCHEMBL302467 0.87 JAK2 (0.37) JAK3JAK2PTGDR2SYKLMNA
SCHEMBL303318 0.86 JAK3 (0.38) JAK3JAK2PTGDR2SYKBRD9
SCHEMBL303061 0.86 JAK2 (0.38) JAK3JAK2PTGDR2SYKBRD9
SCHEMBL302411 0.86 JAK3 (0.40) JAK3JAK2PTGDR2SYKBRD9
SCHEMBL304862 0.85 JAK3 (0.41) JAK3JAK2PTGDR2SYKBRD9
SCHEMBL1922408 0.85 JAK3 (0.38) JAK3JAK2PTGDR2SYKBRD9

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