SCHEMBL4219293

SCHEMBL4219293

Oc1ccc(-c2noc3cc(Br)ccc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.76
ESR2 Q92731 19/20 0.76
HSP90AA1 P07900 3/20 0.54

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
SCHEMBL8483557 0.90 ESR1 (0.81) ESR1ESR2HSP90AA1
SCHEMBL3922447 0.86 ESR1 (1.00) ESR1ESR2HSP90AA1
SCHEMBL22804807 0.84 ESR1 (0.53) ESR1ESR2HSP90AA1
SCHEMBL25341436 0.81 ESR1 (0.59) ESR1ESR2HSP90AA1
SCHEMBL29509843 0.81 ESR1 (0.59) ESR1ESR2HSP90AA1
SCHEMBL5378603 0.81 ESR1 (0.76) ESR1ESR2HSP90AA1
SCHEMBL4221887 0.80 MEN1 (0.55) ESR1ESR2
SCHEMBL21067665 0.80 ESR1 (0.66) ESR1ESR2HSP90AA1
SCHEMBL4745564 0.77 ESR1 (0.81) ESR1ESR2HSP90AA1
SCHEMBL7875599 0.77 ESR1 (0.53) ESR1ESR2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
EP-1708996-B1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-08-27 EP disclosed
EP-1708996-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005073189-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 WO disclosed
US-5856503-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
EP-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP 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 (1 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-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPK7 ESR1 4290/4885ESR2 1899/4885HSP90AA1 151/4885

“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.