SCHEMBL4219255

SCHEMBL4219255

CCNC(=O)c1cc(F)c(C)c(-c2ccc3c(-c4ccc(C(F)(F)F)cc4)n[nH]c3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.49
MAPK1 P28482 2/20 0.49
MAPK6 Q16659 2/20 0.49
MAPKAPK5 Q8IW41 1/20 0.49
GSK3B P49841 1/20 0.46
DDR2 Q16832 11/20 0.46
FGFR1 P11362 10/20 0.46
TRPA1 O75762 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP2C9 P11712 2/20 0.42
MAPK14 Q16539 2/20 0.42
MAPKAPK3 Q16644 1/20 0.42
MAPK8 P45983 1/20 0.42

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
SCHEMBL4230063 0.91 ABL1 (0.48) MAP2K4MAPK1MAPK6MAPKAPK5GSK3B
SCHEMBL4225132 0.89 MAP2K4 (0.47) MAP2K4MAPK1MAPK6DDR2FGFR1
SCHEMBL4220579 0.86 MAPK1 (0.42) MAP2K4MAPK1DDR2FGFR1TRPA1
SCHEMBL14098861 0.84 MAPK14 (0.44) MAPK1GSK3BHDAC6CYP2C9MAPK14
SCHEMBL4219380 0.84 MAPK1 (0.52) MAPK1
SCHEMBL4228198 0.84 MAP2K4 (0.45) MAP2K4MAPK1MAPK6GSK3BTRPA1
SCHEMBL4219360 0.84 GSK3B (0.46) MAP2K4MAPK1GSK3B
SCHEMBL4215057 0.84 MAPK14 (0.43) MAPK1GSK3BHDAC6CYP2C9MAPK14
SCHEMBL3522651 0.84 MAPK14 (0.43) MAPK1GSK3BHDAC6CYP2C9MAPK14
SCHEMBL4222889 0.83 LRRK2 (0.40) MAP2K4MAPK1DDR2FGFR1HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
EP-1708996-B1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-08-27 EP 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-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPK7 MAP2K4 54/4885MAPK1 1/4885MAPK6 24/4885

“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.