SCHEMBL1922559

SCHEMBL1922559

CCCS(=O)(=O)N1CCc2c(cccc2Nc2ccc(C)c(-c3cnc(OCC)cn3)n2)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
BRD4 O60885 1/20 0.33
TP53 P04637 1/20 0.32
MAP3K5 Q99683 1/20 0.32
ALOX5 P09917 1/20 0.32
FAAH O00519 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KAT2B Q92831 1/20 0.30

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
SCHEMBL2026397 0.95 BRD9 (0.35) BRD9MAPTKDM4EBRD4TP53
SCHEMBL1922145 0.91 JAK2 (0.36) BRD9MAPTBRD4TP53ALOX5
SCHEMBL1922554 0.89 MAP3K5 (0.35) BRD9MAPTBRD4TP53MAP3K5
SCHEMBL1921396 0.89 MAPT (0.34) BRD9MAPTKDM4ETSHRPOLB
SCHEMBL1921803 0.84 MAPT (0.39) BRD9MAPTTSHRBRD4MAP3K5
SCHEMBL1921685 0.78 BRD9 (0.34) BRD9MAPTTSHRBRD4MAP3K5
SCHEMBL1921395 0.78 MAP3K5 (0.35) BRD9MAPTPOLBBRD4TP53
SCHEMBL303949 0.76 JAK2 (0.35) BRD9BRD4
SCHEMBL1921808 0.75 JAK2 (0.39) BRD9BRD4KAT2B
SCHEMBL305623 0.73 JAK2 (0.39) BRD9MAPTKDM4EBRD4TP53

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 BRD9 576/4885MAPT 4224/4885KDM4E 789/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO BRD9 613/4885MAPT 4518/4885KDM4E 1145/4885

“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.