SCHEMBL4219360

SCHEMBL4219360

CCNC(=O)c1cc(F)c(C)c(-c2ccc3c(-c4cccnc4)n[nH]c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
CYP1A2 P05177 1/20 0.46
TTK P33981 1/20 0.44
DYRK1A Q13627 7/20 0.44
WNT1 P04628 5/20 0.44
AXL P30530 1/20 0.43
MAP2K4 P45985 1/20 0.42
PIM1 P11309 2/20 0.41
MAPK1 P28482 1/20 0.40
ABL1 P00519 1/20 0.40
IDO1 P14902 1/20 0.40
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL4220579 0.88 MAPK1 (0.42) DYRK1AMAP2K4MAPK1ABL1
SCHEMBL4230063 0.87 ABL1 (0.48) GSK3BMAP2K4MAPK1ABL1
SCHEMBL4225132 0.85 MAP2K4 (0.47) MAP2K4MAPK1ABL1
SCHEMBL4222889 0.85 LRRK2 (0.40) MAP2K4PIM1MAPK1ABL1LRRK2
SCHEMBL4219380 0.85 MAPK1 (0.52) MAPK1
SCHEMBL4229006 0.84 MAP2K4 (0.43) MAP2K4MAPK1LRRK2
SCHEMBL4219329 0.84 CYP2C9 (0.42) GSK3BDYRK1AMAP2K4MAPK1
SCHEMBL4219255 0.84 MAP2K4 (0.49) GSK3BMAP2K4MAPK1
SCHEMBL14098861 0.83 MAPK14 (0.44) GSK3BCYP1A2MAPK1ABL1
SCHEMBL4228198 0.83 MAP2K4 (0.45) GSK3BMAP2K4MAPK1ABL1

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
EP-1708996-B1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-08-27 EP 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 GSK3B 881/4885CYP1A2 1956/4885TTK 241/4885

“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.