SCHEMBL3524808

SCHEMBL3524808

Brc1ccc2c(CN3CCCCC3)noc2c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.58
TSHR P16473 1/20 0.46
GFER P55789 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
PIM1 P11309 3/20 0.43
CSNK2A2 P19784 3/20 0.43
CSNK2B P67870 3/20 0.43
PIM3 Q86V86 3/20 0.43
PIM2 Q9P1W9 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CDC7 O00311 1/20 0.41
CSNK2A1 P68400 1/20 0.41
SCD5 Q86SK9 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3523047 0.99 ACHE (0.59) ACHETSHRGFERTDP1SMN1; SMN2
SCHEMBL3523468 0.87 ACHE (0.57) ACHEKMT2AMEN1MAPTHSD17B10
SCHEMBL3522808 0.86 ACHE (0.56) ACHETDP1MAPTPIM1CSNK2A2
SCHEMBL14493000 0.81 ACHE (0.42) ACHE
SCHEMBL19793131 0.81 ACHE (0.59) ACHEPIM1CSNK2BCDC7CSNK2A1
SCHEMBL3527243 0.78 NPC1 (0.51) ACHESMN1; SMN2MAPTSCD5
SCHEMBL3522895 0.76 NPC1 (0.49) ACHESMN1; SMN2MAPTSCD5
SCHEMBL3523748 0.75 ACHE (0.45) ACHESMN1; SMN2MAPTKDM4ESCD5
SCHEMBL15680286 0.75 CYP2C19 (0.42) ACHETSHRGFERKMT2A
SCHEMBL5905921 0.75 MAPK13 (0.43) ACHETSHRSMN1; SMN2MAPTSCD5

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 7 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
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 4513/4885TSHR 2285/4885GFER 3976/4885

“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.