SCHEMBL2030372

SCHEMBL2030372

Cc1ccc(-c2cc(Nc3cccc4c3CCN([C@@H]3CCS(=O)(=O)C3)C4)ccc2C)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.34
BRD9 Q9H8M2 3/20 0.34
BRD4 O60885 1/20 0.34
KAT2B Q92831 1/20 0.32
FSCN1 Q16658 1/20 0.32
HRH1 P35367 1/20 0.31
GRM5 P41594 1/20 0.31
TSHR P16473 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
SMO Q99835 1/20 0.30
ABL1 P00519 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
KCNJ6 P48051 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 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
SCHEMBL2028548 1.00 NAMPT (0.34) NAMPTBRD9BRD4KAT2BFSCN1
SCHEMBL1922118 1.00 NAMPT (0.34) NAMPTBRD9BRD4KAT2BFSCN1
SCHEMBL2025699 0.95 BRD9 (0.35) NAMPTBRD9BRD4KAT2BHRH1
SCHEMBL1924064 0.93 NAMPT (0.34) NAMPTBRD9BRD4KAT2BGRM5
SCHEMBL1923839 0.90 BRD9 (0.35) NAMPTBRD9BRD4KAT2BFSCN1
SCHEMBL303347 0.90 BRD4 (0.33) NAMPTBRD9BRD4KAT2BTSHR
SCHEMBL12642049 0.89 ABL1 (0.34) NAMPTBRD9BRD4KAT2BGRM5
SCHEMBL2032777 0.88 BRD9 (0.35) NAMPTBRD9BRD4KAT2BSMO
SCHEMBL2028480 0.88 HTT (0.36) NAMPTBRD9BRD4KAT2BPDE4A
SCHEMBL2026483 0.86 PDE4A (0.33) BRD9BRD4PDE4APDE4BPDE4C

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
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US 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-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 NAMPT 4033/4885BRD9 576/4885BRD4 520/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO NAMPT 4234/4885BRD9 613/4885BRD4 622/4885

“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.