SCHEMBL4770249

SCHEMBL4770249

COc1cc2c(OC3CCN(C(=O)OC(C)(C)C)CC3)c(C(=O)Nc3nn[nH]n3)sc2cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.54
MPO P05164 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
PKM P14618 1/20 0.41
PDE4B Q07343 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
NSD2 O96028 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TOP2A P11388 1/20 0.37
KDM1A O60341 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
DYRK1A Q13627 1/20 0.36
STS P08842 1/20 0.36

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
SCHEMBL6025026 0.92 MPO (0.44) PIK3CDMPOCYSLTR1PKMPDE4B
SCHEMBL6020672 0.82 PIK3CD (0.59) PIK3CDMPOCYSLTR1PKMPDE4B
SCHEMBL5797414 0.79 PIK3CD (0.47) PIK3CDMPOCYSLTR1PKMMEN1
SCHEMBL5744199 0.75 MPO (0.57) PIK3CDMPOCYSLTR1PKMMEN1
SCHEMBL5217280 0.73 PIK3CD (0.54) PIK3CDMPOCYSLTR1PKMKDM1A
SCHEMBL5214629 0.72 PIK3CD (0.51) PIK3CDMPOCYSLTR1PKM
SCHEMBL5215803 0.72 MPO (0.56) PIK3CDMPOCYSLTR1PKMMEN1
SCHEMBL5214659 0.71 PIK3CD (0.57) PIK3CDMPOCYSLTR1PKMMEN1
SCHEMBL5246136 0.71 PIK3CD (0.51) PIK3CDMPOCYSLTR1PKM
SCHEMBL4770049 0.69 MPO (0.52) PIK3CDMPOCYSLTR1PKMMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US claimed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP claimed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO claimed
EP-1636210-A1 CYCLOALKYL AND HETEROCYCLOALKYL SUBSTITUTED BENZOTHIOPHENES AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-03-22 EP claimed
US-20050020630-A1 Cycloalkyl and heterocycloalkyl substituted benzothiophenes as therapeutic agents CONNOLLY MICHAEL KEVIN (US) 2005-01-27 US claimed
WO-2004108713-A1 CYCLOALKYL AND HETEROCYCLOALKYL SUBSTITUTED BENZOTHIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO claimed
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US disclosed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP disclosed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO disclosed
EP-1636210-A1 CYCLOALKYL AND HETEROCYCLOALKYL SUBSTITUTED BENZOTHIOPHENES AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
US-20050020630-A1 Cycloalkyl and heterocycloalkyl substituted benzothiophenes as therapeutic agents CONNOLLY MICHAEL KEVIN (US) 2005-01-27 US disclosed
WO-2004108713-A1 CYCLOALKYL AND HETEROCYCLOALKYL SUBSTITUTED BENZOTHIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 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-20050020630-A1 Cycloalkyl and heterocycloalkyl substituted benzothiophenes as therapeutic agents MALT1, CYP1B1, WEE2 PIK3CD 2873/4885MPO 3416/4885CYSLTR1 4/4885
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA PIK3CD 4/4885MPO 270/4885CYSLTR1 784/4885

“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.