SCHEMBL303347

SCHEMBL303347

Cc1ccc(Nc2cccc3c2CCN(C2CCS(=O)(=O)C2)C3)cc1-c1ccccn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.33
BRD9 Q9H8M2 3/20 0.33
TSHR P16473 1/20 0.33
CREBBP Q92793 2/20 0.33
KIF18A Q8NI77 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
EP300 Q09472 1/20 0.33
MAPT P10636 1/20 0.32
UCHL1 P09936 1/20 0.32
SYK P43405 5/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
KAT2B Q92831 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 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
SCHEMBL1922118 0.90 NAMPT (0.34) BRD4BRD9TSHRKAT2BPDE4A
SCHEMBL2030372 0.90 NAMPT (0.34) BRD4BRD9TSHRKAT2BPDE4A
SCHEMBL2028548 0.90 NAMPT (0.34) BRD4BRD9TSHRKAT2BPDE4A
SCHEMBL1924064 0.90 NAMPT (0.34) BRD4BRD9TSHRDGAT2KAT2B
SCHEMBL12642049 0.89 ABL1 (0.34) BRD4BRD9TSHRAVPR2AVPR1A
SCHEMBL306387 0.87 PIK3CA (0.34) BRD4BRD9PDE4APDE4BPDE4C
SCHEMBL305492 0.87 PIK3CA (0.34) BRD4BRD9PDE4APDE4BPDE4C
SCHEMBL2026934 0.87 PIK3CA (0.34) BRD4BRD9PDE4APDE4BPDE4C
SCHEMBL1923839 0.87 BRD9 (0.35) BRD4BRD9TSHRAVPR2AVPR1A
SCHEMBL2028480 0.86 HTT (0.36) BRD4BRD9KAT2BPDE4APDE4B

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 16 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
JP-2012500853-A 2012-01-12 JP claimed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP claimed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO 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-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-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 BRD4 520/4885BRD9 576/4885TSHR 2284/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO BRD4 622/4885BRD9 613/4885TSHR 1946/4885

“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.