SCHEMBL3526035

SCHEMBL3526035

Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(CC(=O)NCC3CC3)noc2c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.66
CYP2C9 P11712 2/20 0.61
HSPB1 P04792 1/20 0.61
MAPK11 Q15759 1/20 0.61
MAPK13 O15264 1/20 0.60
SGK1 O00141 1/20 0.51
LCK P06239 1/20 0.49
KIT P10721 1/20 0.49
KDR P35968 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
SCHEMBL3526077 0.92 MAPK14 (0.74) MAPK14CYP2C9HSPB1MAPK11MAPK13
SCHEMBL3523610 0.91 MAPK14 (0.68) MAPK14CYP2C9HSPB1MAPK11MAPK13
SCHEMBL3526849 0.90 MAPK14 (0.67) MAPK14CYP2C9HSPB1MAPK11MAPK13
SCHEMBL3525332 0.89 MAPK14 (0.70) MAPK14CYP2C9HSPB1MAPK11MAPK13
SCHEMBL3523382 0.89 MAPK14 (0.65) MAPK14CYP2C9HSPB1MAPK11MAPK13
SCHEMBL3526283 0.87 MAPK14 (0.72) MAPK14CYP2C9HSPB1MAPK11MAPK13
SCHEMBL13546255 0.86 MAPK14 (0.70) MAPK14CYP2C9HSPB1MAPK11MAPK13
SCHEMBL3524761 0.83 MAPK13 (0.71) MAPK14CYP2C9HSPB1MAPK11MAPK13
SCHEMBL3524006 0.83 MAPK14 (0.67) MAPK14CYP2C9HSPB1MAPK11MAPK13
SCHEMBL3528047 0.83 MAPK13 (0.72) MAPK14CYP2C9HSPB1MAPK11MAPK13

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 claimed
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 claimed
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.