SCHEMBL1922239

SCHEMBL1922239

CCOc1cnc(-c2cc(Nc3cccc4c3CCN(C3CCS(=O)(=O)CC3)C4)ccc2C)cn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 3/20 0.33
BRD4 O60885 1/20 0.33
ADRA1A P35348 1/20 0.31
KAT2B Q92831 1/20 0.31
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30
GUCY1B2 O75343 4/20 0.30
GUCY1A2 P33402 4/20 0.30
GUCY1A1 Q02108 4/20 0.30
GUCY1B1 Q02153 4/20 0.30
ABL1 P00519 1/20 0.30
GABRA1 P14867 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
SCHEMBL2026483 0.96 PDE4A (0.33) BRD9BRD4
SCHEMBL2026105 0.92 BRD9 (0.34) BRD9BRD4KAT2BRAF1BRAF
SCHEMBL2031984 0.90 MAPT (0.33) BRD9BRD4RAF1BRAFGUCY1B2
SCHEMBL2028480 0.88 HTT (0.36) BRD9BRD4KAT2B
SCHEMBL2025699 0.86 BRD9 (0.35) BRD9BRD4ADRA1AKAT2BABL1
SCHEMBL2032777 0.85 BRD9 (0.35) BRD9BRD4ADRA1AKAT2BRAF1
SCHEMBL2026932 0.85 PDE4A (0.33) BRD9BRD4RAF1BRAFGUCY1B2
SCHEMBL2030281 0.85 PDE4A (0.33) BRD9BRD4RAF1BRAFGUCY1B2
SCHEMBL2031169 0.85 PDE4A (0.33) BRD9BRD4RAF1BRAFGUCY1B2
SCHEMBL2026044 0.83 BRD9 (0.33) 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 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 576/4885BRD4 520/4885ADRA1A 4828/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO BRD9 613/4885BRD4 622/4885ADRA1A 4831/4885

“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.