SCHEMBL3525613

SCHEMBL3525613

Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2CC(=O)NCC2CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.61
CYP2C9 P11712 2/20 0.61
HSPB1 P04792 1/20 0.61
MAPK11 Q15759 1/20 0.61
LCK P06239 2/20 0.54
KDR P35968 2/20 0.54
CSF1R P07333 1/20 0.54
SGK1 O00141 1/20 0.51
RIPK2 O43353 1/20 0.51
KIT P10721 3/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49

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
SCHEMBL3526598 0.90 MAPK14 (0.55) MAPK14CYP2C9HSPB1MAPK11LCK
SCHEMBL3528602 0.89 MAPK14 (0.54) MAPK14CYP2C9HSPB1MAPK11LCK
SCHEMBL3528236 0.87 MAPK14 (0.51) MAPK14CYP2C9HSPB1MAPK11LCK
SCHEMBL3523079 0.87 MAPK14 (0.53) MAPK14CYP2C9HSPB1MAPK11LCK
SCHEMBL3523505 0.87 MAPK14 (0.62) MAPK14CYP2C9MAPK11
SCHEMBL3527948 0.87 MAPK14 (0.59) MAPK14CYP2C9HSPB1MAPK11LCK
SCHEMBL3526396 0.87 MAPK14 (0.63) MAPK14CYP2C9HSPB1MAPK11LCK
SCHEMBL5210623 0.87 MAPK14 (0.55) MAPK14LCKKDRCSF1RSGK1
SCHEMBL3525667 0.86 MAPK14 (0.52) MAPK14CYP2C9HSPB1MAPK11LCK
SCHEMBL13546259 0.86 MAPK14 (0.57) MAPK14CYP2C9HSPB1MAPK11LCK

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 MAPK14 11/4885CYP2C9 2502/4885HSPB1 743/4885

“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.