SCHEMBL2083104

SCHEMBL2083104

CC(C)(C)c1cc(NC(=O)Nc2cccc(-c3cccnc3)c2)n(-c2ccc3c(c2)CCC(=O)N3)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.59
MAPK14 Q16539 16/20 0.55
MAPK13 O15264 12/20 0.55
MAPK12 P53778 12/20 0.55
MAPK11 Q15759 12/20 0.55
BRAF P15056 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
TBXAS1 P24557 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
DDR2 Q16832 1/20 0.47

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
SCHEMBL2083562 0.89 PTK2 (0.59) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL2082590 0.86 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2079733 0.83 MAPK12 (0.58) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL2084849 0.82 MAPK14 (0.42) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL2081733 0.81 MAPK14 (0.52) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL2083192 0.81 MAPK14 (0.62) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL2617003 0.81 MAPK14 (0.57) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL2084463 0.81 MAPK14 (0.51) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL2079259 0.81 MAPK14 (0.51) PTK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL2082740 0.80 MAPK14 (0.78) PTK2MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK PTK2 17/4885MAPK14 128/4885MAPK13 162/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 PTK2 33/4885MAPK14 100/4885MAPK13 118/4885

“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.