SCHEMBL302304

SCHEMBL302304

Cc1ccc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1-c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
AKR1C3 P42330 1/20 0.41
JAK2 O60674 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK14 Q16539 3/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
JAK1 P23458 2/20 0.35
MCL1 Q07820 1/20 0.35
TYK2 P29597 1/20 0.34
JAK3 P52333 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
SCHEMBL1922173 0.90 AKR1C3 (0.41) AKR1C3PTGDR2LMNASMN1; SMN2MAPK14
SCHEMBL302349 0.90 LMNA (0.39) AKR1C3PTGDR2LMNASMN1; SMN2MAPK14
SCHEMBL303617 0.90 PTGDR2 (0.37) CCNT1CDK9AKR1C3PTGDR2LMNA
SCHEMBL1921896 0.90 PTGDR2 (0.38) CCNT1CDK9AKR1C3PTGDR2LMNA
SCHEMBL1921905 0.89 TUBB4A (0.42) AKR1C3PTGDR2LMNASMN1; SMN2TP53
SCHEMBL305390 0.86 PTGDR2 (0.39) CCNT1CDK9JAK2PTGDR2LMNA
SCHEMBL303677 0.86 PTGDR2 (0.40) CCNT1CDK9JAK2PTGDR2LMNA
SCHEMBL302157 0.86 PTGDR2 (0.39) JAK2PTGDR2LMNASMN1; SMN2MEN1
SCHEMBL303945 0.86 MAPK14 (0.43) CCNT1CDK9PTGDR2MAPK14
SCHEMBL303566 0.86 PTGDR2 (0.44) CCNT1CDK9JAK2PTGDR2LMNA

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 CCNT1 3043/4885CDK9 730/4885AKR1C3 4540/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO CCNT1 2302/4885CDK9 524/4885AKR1C3 4661/4885

“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.