SCHEMBL3523366

SCHEMBL3523366

Brc1ccc2c(C3CCNCC3)noc2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.47
ACHE P22303 3/20 0.42
CDC7 O00311 1/20 0.42
PIM1 P11309 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
GRM4 Q14833 5/20 0.39
CYP1A2 P05177 3/20 0.39
LCK P06239 2/20 0.38
MAP2K1 Q02750 2/20 0.38
CSF1R P07333 1/20 0.38
SCD5 Q86SK9 1/20 0.37

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
SCHEMBL8237364 0.84 MAPK14 (0.47) MAPK14ACHEDRD2SLC6A4GRM4
SCHEMBL5905924 0.83 CDC7 (0.46) ACHECDC7PIM1CSNK2BCSNK2A1
SCHEMBL7966100 0.82 MAPK14 (0.47) MAPK14ACHEDRD2SLC6A4GRM4
SCHEMBL461287 0.82 ACHE (0.61) ACHEDRD2SLC6A4
SCHEMBL470707 0.82 MAPK14 (0.52) MAPK14ACHEDRD2SLC6A4GRM4
SCHEMBL15487431 0.82 MAPK14 (0.49) MAPK14ACHEDRD2SLC6A4GRM4
SCHEMBL1545681 0.82 MAPK14 (0.47) MAPK14ACHEDRD2SLC6A4
Hydrochloric Acid SCHEMBL531052 0.81 ACHE (0.60) ACHEDRD2SLC6A4
Hydrochloric Acid SCHEMBL15486032 0.81 MAPK14 (0.48) MAPK14ACHEDRD2SLC6A4GRM4
Hydrochloric Acid SCHEMBL607480 0.81 MAPK14 (0.46) MAPK14ACHE

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-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
WO-1997049698-A1 PIPERIDINE ACETIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOTIC DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-31 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 MAPK14 11/4885ACHE 4513/4885CDC7 378/4885

“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.