SCHEMBL306387

SCHEMBL306387

Cc1ccc(Nc2cccc3c2CCN([C@@H]2CCS(=O)(=O)C2)C3)cc1-c1ncccc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.34
P2RX7 Q99572 1/20 0.32
MAPK14 Q16539 1/20 0.32
BRD4 O60885 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CSF1R P07333 1/20 0.30
CDK4 P11802 1/20 0.30
CDK6 Q00534 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
SCHEMBL2026934 1.00 PIK3CA (0.34) PIK3CAP2RX7MAPK14BRD4BRD9
SCHEMBL305492 1.00 PIK3CA (0.34) PIK3CAP2RX7MAPK14BRD4BRD9
SCHEMBL2030078 0.95 PIK3CA (0.35) PIK3CAP2RX7MAPK14BRD4BRD9
SCHEMBL2026208 0.94 P2RX7 (0.35) PIK3CAP2RX7MAPK14BRD4BRD9
SCHEMBL1921884 0.92 HTR5A (0.36) P2RX7BRD4BRD9PDE4APDE4B
SCHEMBL303347 0.87 BRD4 (0.33) BRD4BRD9PDE4APDE4BPDE4C
SCHEMBL2031247 0.86 HTR5A (0.37) P2RX7BRD4BRD9CSF1RCDK4
SCHEMBL1924064 0.85 NAMPT (0.34) P2RX7BRD4BRD9PDE4APDE4B
SCHEMBL1923839 0.84 BRD9 (0.35) BRD4BRD9PDE4APDE4BPDE4C
SCHEMBL2028548 0.83 NAMPT (0.34) BRD4BRD9PDE4APDE4BPDE4C

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
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US 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
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 PIK3CA 1027/4885P2RX7 4008/4885MAPK14 1462/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO PIK3CA 516/4885P2RX7 4290/4885MAPK14 1355/4885

“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.