SCHEMBL1921803

SCHEMBL1921803

CCCS(=O)(=O)N1CCc2c(cccc2Nc2ccc(C)c(-c3ccc(OC)nn3)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
BRD9 Q9H8M2 2/20 0.34
SLC6A9 P48067 3/20 0.33
MAP3K5 Q99683 6/20 0.32
ALDH1A1 P00352 2/20 0.32
BRD4 O60885 1/20 0.32
LMNA P02545 1/20 0.31
SCN9A Q15858 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL1921685 0.95 BRD9 (0.34) MAPTTSHRBRD9MAP3K5BRD4
SCHEMBL1921396 0.94 MAPT (0.34) MAPTTSHRBRD9MAP3K5BRD4
SCHEMBL1921799 0.87 BRD9 (0.34) BRD9MAP3K5BRD4SCN9A
SCHEMBL1922559 0.84 BRD9 (0.34) MAPTTSHRBRD9MAP3K5BRD4
SCHEMBL1921395 0.82 MAP3K5 (0.35) MAPTBRD9MAP3K5BRD4LMNA
SCHEMBL2026397 0.78 BRD9 (0.35) MAPTBRD9MAP3K5BRD4LMNA
SCHEMBL1922145 0.74 JAK2 (0.36) MAPTBRD9BRD4ALOX5
SCHEMBL2029197 0.74 BRD9 (0.33) MAPTBRD9BRD4ALOX5
SCHEMBL1921808 0.73 JAK2 (0.39) BRD9ALDH1A1BRD4LMNA
SCHEMBL1921729 0.73 RAF1 (0.35) MAPTTSHRALDH1A1LMNASCN9A

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 17 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
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
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 MAPT 4224/4885TSHR 2284/4885BRD9 576/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPT 4518/4885TSHR 1946/4885BRD9 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.