SCHEMBL4230063

SCHEMBL4230063

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.48
BCR P11274 3/20 0.48
MAP2K4 P45985 6/20 0.44
MAPK1 P28482 4/20 0.44
CYP2C9 P11712 3/20 0.43
MAPK14 Q16539 3/20 0.43
TRPA1 O75762 1/20 0.43
MAPK6 Q16659 3/20 0.42
MAPK8 P45983 1/20 0.42
KDR P35968 1/20 0.41
KCNH2 Q12809 1/20 0.40
PAK1 Q13153 1/20 0.40
MAPKAPK3 Q16644 2/20 0.40
GSK3B P49841 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
CNR1 P21554 1/20 0.39
FGFR1 P11362 1/20 0.39
DDR2 Q16832 1/20 0.39

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
SCHEMBL4225132 0.92 MAP2K4 (0.47) ABL1BCRMAP2K4MAPK1CYP2C9
SCHEMBL4219255 0.91 MAP2K4 (0.49) MAP2K4MAPK1CYP2C9MAPK14TRPA1
SCHEMBL4220579 0.89 MAPK1 (0.42) ABL1BCRMAP2K4MAPK1CYP2C9
SCHEMBL14098861 0.88 MAPK14 (0.44) ABL1BCRMAPK1CYP2C9MAPK14
SCHEMBL4219380 0.88 MAPK1 (0.52) MAPK1
SCHEMBL4228198 0.88 MAP2K4 (0.45) ABL1BCRMAP2K4MAPK1CYP2C9
SCHEMBL4219360 0.87 GSK3B (0.46) ABL1MAP2K4MAPK1GSK3B
SCHEMBL4215057 0.87 MAPK14 (0.43) ABL1BCRMAPK1CYP2C9MAPK14
SCHEMBL3522651 0.87 MAPK14 (0.43) ABL1BCRMAPK1CYP2C9MAPK14
SCHEMBL4222889 0.86 LRRK2 (0.40) ABL1BCRMAP2K4MAPK1CYP2C9

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 ABL1 170/4885BCR 415/4885MAP2K4 54/4885

“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.