SCHEMBL5116778

SCHEMBL5116778

Cc1noc(-c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.71
HSPB1 P04792 1/20 0.58
CYP2C9 P11712 1/20 0.58
MAPK11 Q15759 1/20 0.58
LCK P06239 1/20 0.58
CSF1R P07333 1/20 0.58
KDR P35968 1/20 0.58
MAP2K1 Q02750 1/20 0.56
MAPK13 O15264 1/20 0.55

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
SCHEMBL22628887 0.88 SMYD3 (0.59) MAPK14
SCHEMBL5122825 0.83 NR1H4 (0.60) MAPK14
SCHEMBL5117509 0.83 MAPK14 (1.00) MAPK14HSPB1CYP2C9MAPK11LCK
SCHEMBL5630096 0.83 MAPK14 (0.87) MAPK14HSPB1CYP2C9MAPK11LCK
SCHEMBL3072596 0.81 MAPK14 (0.82) MAPK14HSPB1CYP2C9MAPK11LCK
SCHEMBL3097428 0.80 MAPK14 (0.63) MAPK14HSPB1CYP2C9MAPK11LCK
SCHEMBL5631456 0.80 MAPK14 (0.81) MAPK14HSPB1CYP2C9MAPK11LCK
SCHEMBL3091601 0.80 MAPK14 (0.76) MAPK14HSPB1CYP2C9MAPK11LCK
SCHEMBL5109793 0.79 MAPK14 (0.66) MAPK14HSPB1CYP2C9MAPK11LCK
SCHEMBL13146376 0.78 MAPK14 (0.79) MAPK14HSPB1CYP2C9MAPK11LCK

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-7425555-B2 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-09-16 US disclosed
US-7425555-B2 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-09-16 US disclosed
US-7425555-B2 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-09-16 US disclosed
EP-1499600-B1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP disclosed
EP-1499600-B1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP disclosed
US-20060089393-A1 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors GLAXOSMITHKLINE LLC 2006-04-27 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-20060089393-A1 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors MAPK1, MAPK7, MAP3K1 MAPK14 8/4885HSPB1 158/4885CYP2C9 678/4885

“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.