SCHEMBL4215057

SCHEMBL4215057

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.43
CYP2C9 P11712 3/20 0.43
ABL1 P00519 3/20 0.42
BCR P11274 3/20 0.42
HDAC6 Q9UBN7 2/20 0.42
KDR P35968 1/20 0.41
KCNH2 Q12809 1/20 0.41
PAK1 Q13153 1/20 0.41
GSK3B P49841 3/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
CYP1A2 P05177 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
CHEK1 O14757 1/20 0.39
MAPK1 P28482 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
SCHEMBL14098861 0.89 MAPK14 (0.44) MAPK14CYP2C9ABL1BCRHDAC6
SCHEMBL3522651 0.88 MAPK14 (0.43) MAPK14CYP2C9ABL1BCRHDAC6
SCHEMBL4230063 0.87 ABL1 (0.48) MAPK14CYP2C9ABL1BCRKDR
SCHEMBL4225132 0.85 MAP2K4 (0.47) MAPK14CYP2C9ABL1BCRHDAC6
SCHEMBL4220579 0.84 MAPK1 (0.42) MAPK14CYP2C9ABL1BCRHDAC6
SCHEMBL4219255 0.84 MAP2K4 (0.49) MAPK14CYP2C9HDAC6GSK3BMAPK1
SCHEMBL4219380 0.83 MAPK1 (0.52) MAPK1
SCHEMBL4228198 0.83 MAP2K4 (0.45) MAPK14CYP2C9ABL1BCRHDAC6
SCHEMBL4219360 0.82 GSK3B (0.46) ABL1GSK3BCYP1A2MAPK1
SCHEMBL3525507 0.81 MAPK14 (0.44) MAPK14CYP2C9ABL1BCRKDR

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 MAPK14 19/4885CYP2C9 3757/4885ABL1 170/4885

“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.