SCHEMBL3525330

SCHEMBL3525330

CCNC(=O)c1ccc(C)c(-c2ccc3c(I)n[nH]c3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.51
ABL1 P00519 4/20 0.47
BCR P11274 4/20 0.47
DDR2 Q16832 9/20 0.45
FGFR1 P11362 7/20 0.45
CHEK1 O14757 1/20 0.45
KCNH2 Q12809 1/20 0.44
PAK1 Q13153 1/20 0.44
KDR P35968 1/20 0.43

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
SCHEMBL13435317 0.88 PAK1 (0.44) MAPK14ABL1BCRCHEK1KCNH2
SCHEMBL3522651 0.84 MAPK14 (0.43) MAPK14ABL1BCRCHEK1KCNH2
SCHEMBL4215237 0.84 MAP2K4 (0.53) MAPK14ABL1BCRDDR2FGFR1
SCHEMBL4225514 0.83 DDR2 (0.50) MAPK14ABL1BCRDDR2FGFR1
SCHEMBL4215363 0.83 TRPA1 (0.51) MAPK14DDR2FGFR1
SCHEMBL4219480 0.82 DDR2 (0.51) MAPK14ABL1DDR2FGFR1
SCHEMBL4224187 0.82 DDR2 (0.47) MAPK14ABL1BCRDDR2FGFR1
SCHEMBL13948930 0.82 TRPA1 (0.50) MAPK14DDR2FGFR1
SCHEMBL4212929 0.82 DDR2 (0.49) MAPK14ABL1BCRDDR2FGFR1
SCHEMBL3525146 0.80 MAPK14 (0.56) MAPK14ABL1BCRDDR2FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687532-B2 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of I.A. rheumatoid arthritis GLAXOSMITHKLINE LLC (US) 2010-03-30 US disclosed
US-7687532-B2 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of I.A. rheumatoid arthritis GLAXOSMITHKLINE LLC (US) 2010-03-30 US disclosed
US-7687532-B2 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of I.A. rheumatoid arthritis GLAXOSMITHKLINE LLC (US) 2010-03-30 US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
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-B1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-08-27 EP disclosed
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis GLAXOSMITHKLINE LLC 2007-06-21 US disclosed
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis GLAXOSMITHKLINE LLC 2007-06-21 US disclosed
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis GLAXOSMITHKLINE LLC 2007-06-21 US disclosed
EP-1745038-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-24 EP disclosed
EP-1708996-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005073219-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 WO disclosed
WO-2005073189-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 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 (2 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 MAPK14 19/4885ABL1 170/4885BCR 415/4885
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis CNKSR1, MAPK1, MAPK7 MAPK14 10/4885ABL1 423/4885BCR 1071/4885

“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.