SCHEMBL1921673

SCHEMBL1921673

Cc1ccc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1-c1ncc(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.40
JAK3 P52333 5/20 0.40
SCN9A Q15858 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.37
HTR5A P47898 1/20 0.37
SMO Q99835 1/20 0.37
BRD9 Q9H8M2 2/20 0.35
KAT2B Q92831 1/20 0.35
SYK P43405 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KA5 O75582 1/20 0.35
RPS6KA4 O75676 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
SCHEMBL1922156 0.92 JAK2 (0.44) JAK2JAK3SCN9APTGDR2HTR5A
SCHEMBL1921981 0.91 JAK2 (0.41) JAK2JAK3SCN9APTGDR2HTR5A
SCHEMBL27950038 0.90 SCN9A (0.38) JAK2JAK3SCN9APTGDR2HTR5A
SCHEMBL304705 0.88 JAK2 (0.40) JAK2JAK3SCN9APTGDR2SMO
SCHEMBL305387 0.86 JAK2 (0.37) JAK2JAK3SCN9APTGDR2SMO
SCHEMBL1922726 0.85 JAK2 (0.45) JAK2JAK3SCN9APTGDR2BRD9
SCHEMBL303148 0.83 JAK2 (0.44) JAK2JAK3SCN9APTGDR2SMO
SCHEMBL302332 0.82 JAK3 (0.41) JAK2JAK3SCN9APTGDR2BRD9
SCHEMBL27935516 0.82 JAK2 (0.39) JAK2JAK3SCN9APTGDR2HTR5A
SCHEMBL302411 0.81 JAK3 (0.40) JAK2JAK3SCN9APTGDR2BRD9

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
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US 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-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 1093/4885SCN9A 2283/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO JAK2 303/4885JAK3 512/4885SCN9A 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.