SCHEMBL4222889

SCHEMBL4222889

CCNC(=O)c1cc(F)c(C)c(-c2ccc3c(-c4ccccn4)n[nH]c3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPK1 P28482 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDR P35968 1/20 0.39
CYP2C9 P11712 2/20 0.39
MAPK14 Q16539 2/20 0.39
TGFBR1 P36897 1/20 0.39
NTRK1 P04629 1/20 0.39
KCNH2 Q12809 1/20 0.39
PAK1 Q13153 1/20 0.39
PIM1 P11309 3/20 0.38
FGFR1 P11362 2/20 0.38
DDR2 Q16832 1/20 0.38
MAP2K4 P45985 1/20 0.38
PIM2 Q9P1W9 1/20 0.38

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 0.91 MAPK1 (0.42) MAPK8MAPK1JAK2JAK1TYK2
SCHEMBL4230063 0.86 ABL1 (0.48) MAPK8MAPK1KDRCYP2C9MAPK14
SCHEMBL4219380 0.86 MAPK1 (0.52) MAPK1
SCHEMBL4219360 0.85 GSK3B (0.46) LRRK2MAPK1PIM1MAP2K4ABL1
SCHEMBL4219329 0.85 CYP2C9 (0.42) MAPK8MAPK1HDAC6KDRCYP2C9
SCHEMBL4225132 0.84 MAP2K4 (0.47) MAPK8MAPK1HDAC6KDRCYP2C9
SCHEMBL4219255 0.83 MAP2K4 (0.49) MAPK8MAPK1HDAC6CYP2C9MAPK14
SCHEMBL14098861 0.82 MAPK14 (0.44) MAPK1JAK2JAK1TYK2JAK3
SCHEMBL4228198 0.82 MAP2K4 (0.45) MAPK8MAPK1HDAC6CYP2C9MAPK14
SCHEMBL4224513 0.82 DDR2 (0.39) MAPK8MAPK1JAK2JAK1TYK2

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-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
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 LRRK2 547/4885MAPK8 5/4885MAPK1 1/4885

“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.