Sugi Predict

Sugi Predict / Compounds / SCHEMBL3524006

SCHEMBL3524006

SCHEMBL3524006

COc1cccc(CNC(=O)Cc2noc3cc(-c4cc(C(=O)NC5CC5)ccc4C)ccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 15/20 0.67
▸ MAPK13 O15264 1/20 0.53
▸ MAPK11 Q15759 2/20 0.47
▸ KIT P10721 2/20 0.45
▸ LCK P06239 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ RIPK2 O43353 1/20 0.44
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ HSPB1 P04792 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ MMP13 P45452 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
SCHEMBL3526077 0.85 MAPK14 (0.74) MAPK14MAPK13MAPK11KITLCK
SCHEMBL3523610 0.84 MAPK14 (0.68) MAPK14MAPK13MAPK11KITLCK
SCHEMBL3526849 0.83 MAPK14 (0.67) MAPK14MAPK13MAPK11KITLCK
SCHEMBL3526035 0.83 MAPK14 (0.66) MAPK14MAPK13MAPK11KITLCK
SCHEMBL3525332 0.82 MAPK14 (0.70) MAPK14MAPK13MAPK11KITLCK
SCHEMBL13546255 0.82 MAPK14 (0.70) MAPK14MAPK13MAPK11KITLCK
SCHEMBL3523382 0.82 MAPK14 (0.65) MAPK14MAPK13MAPK11KITLCK
SCHEMBL3526283 0.81 MAPK14 (0.72) MAPK14MAPK13MAPK11KITLCK
SCHEMBL6676071 0.81 MAPK14 (1.00) MAPK14MAPK11ROCK2ROCK1HSPB1
SCHEMBL3524761 0.77 MAPK13 (0.71) MAPK14MAPK13MAPK11KITLCK

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 11/4885MAPK13 19/4885MAPK11 42/4885

“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.