SCHEMBL1921808

SCHEMBL1921808

Cc1ccc(-c2nc(Nc3cccc4c3CCN(S(C)(=O)=O)C4)ccc2C)nc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.39
JAK3 P52333 6/20 0.39
BRD9 Q9H8M2 3/20 0.37
BRD4 O60885 1/20 0.37
SMO Q99835 5/20 0.36
KAT2B Q92831 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SYK P43405 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL303379 0.92 SMO (0.44) JAK2JAK3BRD9BRD4SMO
SCHEMBL305623 0.88 JAK2 (0.39) JAK2JAK3BRD9BRD4SMO
SCHEMBL1921904 0.85 CDK4 (0.38) BRD9BRD4SMOKAT2BLMNA
SCHEMBL1922145 0.84 JAK2 (0.36) JAK2JAK3BRD9BRD4SMO
SCHEMBL1922622 0.83 JAK2 (0.38) JAK2JAK3BRD9BRD4SMO
SCHEMBL1922408 0.83 JAK3 (0.38) JAK2JAK3BRD9BRD4SMO
SCHEMBL1921965 0.80 BRD9 (0.36) BRD9BRD4SMOKAT2B
SCHEMBL2026397 0.78 BRD9 (0.35) BRD9BRD4KAT2BLMNA
SCHEMBL1921434 0.78 SMO (0.44) JAK2JAK3BRD9BRD4SMO
SCHEMBL1921685 0.76 BRD9 (0.34) BRD9BRD4KAT2B

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 20 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
CN-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 CN 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-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
CN-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 CN 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
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 1093/4885BRD9 576/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO JAK2 303/4885JAK3 512/4885BRD9 613/4885

“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.