SCHEMBL304113

SCHEMBL304113

CCS(=O)(=O)N1CCc2c(ncnc2Nc2ccc(C)c(-c3ccc(F)cn3)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.39
TRPV1 Q8NER1 6/20 0.39
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
AR P10275 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL1922304 0.95 MKNK1 (0.37) MKNK1TRPV1CYP11B1CYP11B2AR
SCHEMBL302541 0.93 JAK2 (0.42) MKNK1TRPV1CYP11B1CYP11B2AR
SCHEMBL302550 0.91 TRPV1 (0.38) MKNK1TRPV1ARPIK3CD
SCHEMBL1922302 0.90 MKNK1 (0.38) MKNK1TRPV1CYP11B1CYP11B2AR
SCHEMBL302343 0.86 TRPV1 (0.36) MKNK1TRPV1ARPIK3CD
SCHEMBL302520 0.85 PIK3CD (0.38) MKNK1TRPV1CYP11B1CYP11B2AR
SCHEMBL302342 0.81 PIK3CD (0.37) MKNK1TRPV1ARPIK3CD
SCHEMBL302384 0.80 JAK2 (0.39) MKNK1TRPV1ARJAK2JAK3
SCHEMBL302552 0.79 FAAH (0.46) CYP11B1CYP11B2JAK2JAK3
SCHEMBL303148 0.76 JAK2 (0.44) MKNK1CYP11B1CYP11B2JAK2JAK3

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
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US claimed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 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 MKNK1 417/4885TRPV1 4050/4885CYP11B1 4410/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MKNK1 317/4885TRPV1 3673/4885CYP11B1 4224/4885

“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.