SCHEMBL3548193

SCHEMBL3548193

CC(C)(C)c1cc2[nH]c(=O)oc(=O)c2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
PDPK1 O15530 1/20 0.41
F2 P00734 1/20 0.37
CFD P00746 1/20 0.37
NOS1 P29475 4/20 0.35
NOS2 P35228 3/20 0.35
NOS3 P29474 2/20 0.35
KMO O15229 1/20 0.33
PRKDC P78527 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2A P08913 1/20 0.32
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
OGT O15294 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL726777 0.77 ERCC5 (0.56) ERCC5FEN1PDPK1
SCHEMBL3200535 0.75 ERCC5 (0.38) ERCC5FEN1PDPK1F2CFD
SCHEMBL14403068 0.72 F2 (0.34) ERCC5FEN1F2CFDNOS1
SCHEMBL21160429 0.68 ERCC5 (0.47) ERCC5FEN1PDPK1
SCHEMBL20087107 0.65 PDPK1 (0.38) ERCC5FEN1PDPK1PRKDC
SCHEMBL10342821 0.64 KIF11 (0.51) F2CFDNOS1NOS2NOS3
SCHEMBL1285397 0.63 PDPK1 (0.46) PDPK1F2CFDNOS1NOS2
SCHEMBL7576906 0.61 PRKDC (0.52) ERCC5FEN1PDPK1PRKDCCYP1A2
SCHEMBL21234681 0.60 ERCC5 (0.40) ERCC5FEN1PDPK1
SCHEMBL20784798 0.60 CDC7 (0.47) ERCC5FEN1PDPK1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
EP-1041982-B1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC (US) 2011-10-19 EP disclosed
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS RANGES GERALD 2010-06-24 US disclosed
US-20090192307-A1 INHIBITORS OF PROTEIN KINASES LOCUS PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090192307-A1 INHIBITORS OF PROTEIN KINASES LOCUS PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090192307-A1 INHIBITORS OF PROTEIN KINASES LOCUS PHARMACEUTICALS, INC. 2009-07-30 US disclosed
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 WO disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070185098-A1 Inhibitors of protein kinases LOCUS PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
WO-2007081690-A2 INHIBITORS OF PROTEIN KINASES LOCUS PHARMACEUTICALS, INC. (US) 2007-07-19 WO disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US 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 (10 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-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS MAPK1, MAP3K1, MAP3K7 ERCC5 3707/4885FEN1 3199/4885PDPK1 1446/4885
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 ERCC5 3244/4885FEN1 3113/4885PDPK1 752/4885
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 ERCC5 886/4885FEN1 801/4885PDPK1 81/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 ERCC5 3244/4885FEN1 3113/4885PDPK1 752/4885
US-20090192307-A1 INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K19 ERCC5 3628/4885FEN1 3559/4885PDPK1 158/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF ERCC5 1384/4885FEN1 1181/4885PDPK1 202/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF ERCC5 1384/4885FEN1 1181/4885PDPK1 202/4885
US-20070185098-A1 Inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K19 ERCC5 3628/4885FEN1 3559/4885PDPK1 158/4885
US-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 ERCC5 2803/4885FEN1 4468/4885PDPK1 457/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 ERCC5 886/4885FEN1 801/4885PDPK1 81/4885

“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.