SCHEMBL2214850

SCHEMBL2214850

Cc1c(F)cc(C(=O)Nc2ccnn2C)cc1I

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.46
HPGDS O60760 1/20 0.44
LCK P06239 1/20 0.42
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
BRD4 O60885 1/20 0.38
MAOB P27338 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL4231887 0.84 MAPK14 (0.49) MAPK14KMT2AHDAC1HDAC6RAB9A
SCHEMBL14161063 0.84 MAPK14 (0.43) MAPK14HPGDSLCKKMT2AHDAC1
SCHEMBL4035180 0.81 MAPK14 (0.56) MAPK14HPGDSLCKKMT2AHDAC1
SCHEMBL2214493 0.78 MAPK14 (0.40) MAPK14HPGDSLCKKMT2AHDAC1
SCHEMBL3892152 0.76 HPGDS (0.49) MAPK14HPGDSLCKKMT2AMAPK8
SCHEMBL4739276 0.75 MAPK14 (0.46) MAPK14HPGDSLCKMAPK8MAPK10
SCHEMBL3767339 0.74 RAB9A (0.51) MAPK14HPGDSLCKKMT2AHDAC1
SCHEMBL4225169 0.73 SIRT2 (0.44) MAPK14HPGDSHDAC1HDAC6
SCHEMBL4740641 0.73 SMN1; SMN2 (0.54) MAPK14LCKKMT2APOLBRAB9A
SCHEMBL396727 0.72 POLB (0.53) MAPK14HPGDSKMT2AMAPK8MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709046-B1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-07-27 EP disclosed
EP-1709046-B1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-07-27 EP 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
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
WO-2008071665-A1 A NICOTINAMIDE DERIVATIVE USEFUL AS P38 KINASE INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 2008-06-19 WO disclosed
WO-2008071664-A1 NICOTINAMIDE DERIVATIVE USED AS A P38 KINASE INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 2008-06-19 WO disclosed
WO-2008071664-A1 NICOTINAMIDE DERIVATIVE USED AS A P38 KINASE INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 2008-06-19 WO disclosed
WO-2008071665-A1 A NICOTINAMIDE DERIVATIVE USEFUL AS P38 KINASE INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 2008-06-19 WO disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
EP-1708996-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005073189-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 WO 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 (2 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 19/4885HPGDS 122/4885LCK 131/4885
US-20070161673-A1 P38 kinase inhibitors MAPK1, MAPK7, MAP3K1 MAPK14 14/4885HPGDS 118/4885LCK 94/4885

“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.