SCHEMBL2028480

SCHEMBL2028480

COc1cnc(-c2cc(Nc3cccc4c3CCN(C3CCS(=O)(=O)C3)C4)ccc2C)cn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
TYK2 P29597 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
BRD9 Q9H8M2 3/20 0.33
BRD4 O60885 1/20 0.33
JAK2 O60674 3/20 0.32
JAK3 P52333 3/20 0.32
PTK2 Q05397 3/20 0.32
KAT2B Q92831 1/20 0.31
CYP2C8 P10632 1/20 0.30
NAMPT P43490 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 0.93 PDE4A (0.33) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL1922744 0.89 PDE4A (0.34) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL2028603 0.89 PDE4A (0.34) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL1921536 0.89 PDE4A (0.34) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL1922239 0.88 BRD9 (0.33) BRD9BRD4KAT2B
SCHEMBL1922118 0.88 NAMPT (0.34) PDE4APDE4BPDE4CPDE4DBRD9
SCHEMBL2028548 0.88 NAMPT (0.34) PDE4APDE4BPDE4CPDE4DBRD9
SCHEMBL2030372 0.88 NAMPT (0.34) PDE4APDE4BPDE4CPDE4DBRD9
SCHEMBL1924064 0.87 NAMPT (0.34) PDE4APDE4BPDE4CPDE4DBRD9
SCHEMBL12642049 0.86 ABL1 (0.34) PDE4APDE4BPDE4CPDE4DBRD9

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
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

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 HTT 1766/4885TYK2 4452/4885PDE4A 2768/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO HTT 2397/4885TYK2 4288/4885PDE4A 2671/4885

“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.