SCHEMBL302725

SCHEMBL302725

Cc1ccc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1-c1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.40
JAK3 P52333 4/20 0.40
PTPN2 P17706 3/20 0.37
PTPN1 P18031 3/20 0.37
PTPN5 P54829 3/20 0.37
HSPD1 P10809 1/20 0.37
HSPE1 P61604 1/20 0.37
MET P08581 1/20 0.37
MAPT P10636 6/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AGPAT2 O15120 3/20 0.36
TP53 P04637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL302467 0.83 JAK2 (0.37) JAK2JAK3MAPTNPC1RAB9A
SCHEMBL1923364 0.82 LDLR (0.44) JAK2JAK3MAPTTP53NPSR1
SCHEMBL303677 0.82 PTGDR2 (0.40) JAK2JAK3MAPTTP53NPSR1
SCHEMBL306380 0.81 CDK9 (0.43) JAK2JAK3MAPTTP53SMN1; SMN2
SCHEMBL303036 0.81 JAK3 (0.37) JAK2JAK3SMN1; SMN2LMNASYK
SCHEMBL305390 0.80 PTGDR2 (0.39) JAK2JAK3MAPTTP53NPC1
SCHEMBL303642 0.80 JAK2 (0.39) JAK2JAK3SYK
SCHEMBL304862 0.79 JAK3 (0.41) JAK2JAK3SYK
SCHEMBL302332 0.79 JAK3 (0.41) JAK2JAK3NPC1RAB9ASMN1; SMN2
SCHEMBL303318 0.78 JAK3 (0.38) JAK2JAK3SYK

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 16 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-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
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 1093/4885PTPN2 1290/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO JAK2 303/4885JAK3 512/4885PTPN2 826/4885

“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.