SCHEMBL3526581

SCHEMBL3526581

CC(C)(C)OC(=O)N1CCN(C(=O)Cc2noc3cc(Br)ccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
THRB P10828 4/20 0.45
TP53 P04637 4/20 0.44
MAPT P10636 2/20 0.43
BACE1 P56817 5/20 0.43
DTYMK P23919 2/20 0.40
ACHE P22303 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SCD5 Q86SK9 1/20 0.39
KRAS P01116 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL3527243 0.82 NPC1 (0.51) LMNATHRBTP53MAPTACHE
SCHEMBL3523914 0.82 BACE1 (0.49) LMNAMAPTBACE1SCD5
SCHEMBL6171513 0.81 BACE1 (0.41) BACE1DTYMKCHRM2CHRM4CHRM1
SCHEMBL3522533 0.81 KMT2A (0.48) LMNATHRBTP53MAPTACHE
SCHEMBL30476287 0.79 CHRM2 (0.42) TP53MAPTBACE1ACHECHRM2
SCHEMBL31588744 0.77 ACHE (0.41) ACHESCD5
SCHEMBL31588628 0.76 DPP4 (0.40) ACHESCD5
SCHEMBL31588630 0.76 DPP4 (0.40) ACHESCD5
SCHEMBL21274172 0.75 BACE1 (0.49) LMNAMAPTBACE1SCD5
SCHEMBL30546116 0.75 BACE1 (0.49) LMNAMAPTBACE1SCD5

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 5 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
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

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 LMNA 3838/4885THRB 1832/4885TP53 2766/4885

“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.