SCHEMBL303495

SCHEMBL303495

CS(=O)(=O)N1CCc2c(cccc2Nc2cc(-c3ccc(C#N)cc3)c(Cl)cn2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.40
CCNT1 O60563 2/20 0.40
SCN9A Q15858 2/20 0.38
CCR6 P51684 4/20 0.37
FABP1 P07148 1/20 0.36
KAT2B Q92831 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
CDK2 P24941 2/20 0.33
CCNK O75909 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SMO Q99835 1/20 0.33
FASN P49327 1/20 0.33
CCNE1 P24864 1/20 0.33
FLT3 P36888 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
SCHEMBL12642075 0.89 SCN9A (0.39) CDK9SCN9AKAT2BBRD9LMNA
SCHEMBL325117 0.85 TUBB4A (0.39) CDK9CCNT1SCN9AFABP1KAT2B
SCHEMBL322190 0.85 CCNT1 (0.40) CDK9CCNT1SCN9AFABP1KAT2B
SCHEMBL304043 0.80 BRD9 (0.38) CDK9CCNT1SCN9AFABP1KAT2B
SCHEMBL305403 0.80 CCNT1 (0.40) CDK9CCNT1FABP1LMNASMN1; SMN2
SCHEMBL305283 0.79 CCNT1 (0.40) CDK9CCNT1FABP1LMNASMN1; SMN2
SCHEMBL305511 0.78 TUBB4A (0.40) CDK9CCNT1
SCHEMBL321278 0.78 TUBB4A (0.39) CDK9CCNT1SCN9ALMNASMN1; SMN2
SCHEMBL1922435 0.78 MAPT (0.37) CDK9LMNAFLT3
SCHEMBL27935514 0.77 CCNT1 (0.36) CDK9CCNT1SCN9AFABP1KAT2B

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 19 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
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-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 CDK9 730/4885CCNT1 3043/4885SCN9A 2283/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO CDK9 524/4885CCNT1 2302/4885SCN9A 2099/4885

“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.