SCHEMBL306380

SCHEMBL306380

Cc1ccc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1-c1cccc(F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.43
JAK2 O60674 8/20 0.39
JAK3 P52333 8/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
SYK P43405 1/20 0.35
BRD4 O60885 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
P2RX7 Q99572 1/20 0.34
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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
CDK2 P24941 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
SCHEMBL303036 0.91 JAK3 (0.37) CDK9JAK2JAK3PTGDR2SYK
SCHEMBL1922599 0.88 JAK2 (0.35) JAK2JAK3PTGDR2SYKSCN9A
SCHEMBL303148 0.86 JAK2 (0.44) CDK9JAK2JAK3PTGDR2SYK
SCHEMBL303642 0.86 JAK2 (0.39) JAK2JAK3PTGDR2SYKBRD4
SCHEMBL304898 0.86 PTGDR2 (0.41) CDK9JAK2JAK3PTGDR2SYK
SCHEMBL302467 0.86 JAK2 (0.37) JAK2JAK3PTGDR2SYKPOLB
SCHEMBL302411 0.84 JAK3 (0.40) CDK9JAK2JAK3PTGDR2SYK
SCHEMBL303061 0.84 JAK2 (0.38) CDK9JAK2JAK3PTGDR2SYK
SCHEMBL1921436 0.84 PTGDR2 (0.36) JAK2JAK3PTGDR2SYKBRD4
SCHEMBL1922726 0.84 JAK2 (0.45) CDK9JAK2JAK3PTGDR2SYK

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
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
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 CDK9 730/4885JAK2 570/4885JAK3 1093/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO CDK9 524/4885JAK2 303/4885JAK3 512/4885

“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.