SCHEMBL3526161

SCHEMBL3526161

OCC(CO)NCc1noc2cc(Br)ccc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
PRNP P04156 1/20 0.32
XIAP P98170 2/20 0.32
SCD5 Q86SK9 1/20 0.32
ESR1 P03372 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ESR2 Q92731 1/20 0.31
S1PR1 P21453 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL19793133 0.79 ACHE (0.44) ACHEMAPTPRNPXIAPSCD5
SCHEMBL30645695 0.79 ACHE (0.44) ACHEMAPTPRNPXIAPSCD5
SCHEMBL3523748 0.74 ACHE (0.45) ACHEMAPTPRNPXIAPSCD5
SCHEMBL3524883 0.71 MAPT (0.56) ACHEMAPTGAASCD5
SCHEMBL32670475 0.69 MAPT (0.43) ACHEMAPTGAAPRNP
SCHEMBL3523616 0.69 LMNA (0.47) ACHEMAPTGAAPRNP
SCHEMBL3522105 0.69 RAB9A (0.44) ACHEMAPTGAA
SCHEMBL3525870 0.68 RAB9A (0.43) MAPTGAA
SCHEMBL3525728 0.68 RAB9A (0.48) MAPTGAAPRNP
SCHEMBL13244919 0.68 ESR1 (0.39) ACHESCD5ESR1HSP90AA1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
EP-1531812-B1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed
EP-1531812-B1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis SMITHKLINE BEECHAM CORPORATION 2006-06-08 US disclosed
EP-1531812-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
WO-2004010995-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 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 (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-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 ACHE 4513/4885MAPT 3176/4885GAA 4108/4885

“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.