SCHEMBL5117580

SCHEMBL5117580

Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc(-c2csc(N)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 1.00
RAF1 P04049 3/20 0.62
HSPB1 P04792 2/20 0.62
LYN P07948 1/20 0.62
LCK P06239 2/20 0.60
CSF1R P07333 1/20 0.60
MAP2K1 Q02750 1/20 0.59
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
BRAF P15056 2/20 0.54

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
SCHEMBL4700699 0.84 MAPK14 (0.74) MAPK14RAF1HSPB1LYNLCK
SCHEMBL5118066 0.81 MAPK14 (1.00) MAPK14RAF1HSPB1LYNLCK
SCHEMBL5376468 0.80 MAPK14 (0.71) MAPK14RAF1HSPB1LYNLCK
SCHEMBL4700681 0.80 MAPK14 (0.69) MAPK14RAF1HSPB1LYNLCK
SCHEMBL4819509 0.80 MAPK14 (0.77) MAPK14RAF1HSPB1LYNLCK
SCHEMBL4704090 0.79 MAPK14 (0.68) MAPK14RAF1HSPB1LYNLCK
SCHEMBL13546241 0.78 MAPK14 (0.64) MAPK14RAF1HSPB1LYNLCK
Gw769076X SCHEMBL4814684 0.78 MAPK14 (1.00) MAPK14RAF1HSPB1LYNMAPK13
SCHEMBL4814726 0.77 MAPK14 (1.00) MAPK14RAF1HSPB1LYNMAPK13
SCHEMBL3521625 0.76 MAPK14 (1.00) MAPK14RAF1HSPB1LYNLCK

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-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
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 8/4885RAF1 119/4885HSPB1 158/4885

“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.