SCHEMBL302541

SCHEMBL302541

Cc1ccc(Nc2ncnc3c2CCN(S(C)(=O)=O)C3)cc1-c1ccc(F)cn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
CYP11B2 P19099 10/20 0.41
CYP11B1 P15538 7/20 0.41
MKNK1 Q9BUB5 6/20 0.40
TRPV1 Q8NER1 1/20 0.39
AR P10275 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL304113 0.93 MKNK1 (0.39) JAK2JAK3CYP11B2CYP11B1MKNK1
SCHEMBL302520 0.92 PIK3CD (0.38) JAK2JAK3CYP11B2CYP11B1MKNK1
SCHEMBL1922302 0.91 MKNK1 (0.38) JAK2JAK3CYP11B2CYP11B1MKNK1
SCHEMBL1922304 0.90 MKNK1 (0.37) JAK2JAK3CYP11B2CYP11B1MKNK1
SCHEMBL302384 0.87 JAK2 (0.39) JAK2JAK3MKNK1TRPV1AR
SCHEMBL302552 0.86 FAAH (0.46) JAK2JAK3CYP11B2CYP11B1CCNT1
SCHEMBL302550 0.84 TRPV1 (0.38) MKNK1TRPV1AR
SCHEMBL302342 0.82 PIK3CD (0.37) MKNK1TRPV1AR
SCHEMBL303148 0.82 JAK2 (0.44) JAK2JAK3CYP11B2CYP11B1MKNK1
SCHEMBL302343 0.81 TRPV1 (0.36) MKNK1TRPV1AR

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 15 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
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-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 JAK2 570/4885JAK3 1093/4885CYP11B2 4519/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO JAK2 303/4885JAK3 512/4885CYP11B2 4386/4885

“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.