SCHEMBL305126

SCHEMBL305126

Cc1ccc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1-c1ncc(-c2ccc(CN(C)C)cc2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
ABL1 P00519 1/20 0.33
CCNT1 O60563 9/20 0.33
CDK9 P50750 9/20 0.33
JAK2 O60674 3/20 0.33
JAK3 P52333 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL27935530 0.92 CHEK1 (0.32) AURKAAURKBINCENPTPX2CCNT1
SCHEMBL303796 0.88 PTGDR2 (0.36) TNKSPARP1ABL1JAK2JAK3
SCHEMBL305150 0.87 CCNT1 (0.34) CCNT1CDK9JAK2JAK3PTGDR2
SCHEMBL304707 0.87 CCNT1 (0.35) CCNT1CDK9JAK2JAK3PTGDR2
SCHEMBL302221 0.87 CCNT1 (0.43) CCNT1CDK9JAK2JAK3
SCHEMBL1922553 0.86 SCN9A (0.36) CCNT1CDK9JAK2JAK3
SCHEMBL1922563 0.85 NPY5R (0.38) CCNT1CDK9
SCHEMBL305501 0.84 TNIK (0.41) CCNT1CDK9
SCHEMBL1922092 0.82 SMO (0.42) CCNT1CDK9JAK2JAK3
SCHEMBL304149 0.80 JAK2 (0.34) CCNT1CDK9JAK2JAK3

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 14 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

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 TNKS 3442/4885PARP1 4326/4885AURKA 2408/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO TNKS 3625/4885PARP1 4516/4885AURKA 1889/4885

“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.