SCHEMBL2083684

SCHEMBL2083684

CC(C)(C)c1cc(NC(=O)N[C@H]2CCCc3ccccc32)n(-c2ccc3c(c2)NCC3)n1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.67
MAPK12 P53778 8/20 0.67
MAPK11 Q15759 8/20 0.67
MAPK13 O15264 6/20 0.67
LMNA P02545 1/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL14190155 0.95 MAPK14 (0.75) MAPK14MAPK12MAPK11MAPK13
SCHEMBL2617020 0.95 MAPK14 (0.75) MAPK14MAPK12MAPK11MAPK13
Hydrochloric Acid SCHEMBL2083088 0.94 MAPK14 (0.73) MAPK14MAPK12MAPK11MAPK13
SCHEMBL2084207 0.88 MAPK14 (0.66) MAPK14MAPK12MAPK11MAPK13LMNA
SCHEMBL15014062 0.86 MAPK14 (0.79) MAPK14MAPK12MAPK11MAPK13LMNA
SCHEMBL2083142 0.85 MAPK14 (0.71) MAPK14MAPK12MAPK11MAPK13
SCHEMBL22083807 0.84 MAPK14 (0.69) MAPK14MAPK12MAPK11MAPK13LMNA
SCHEMBL2081510 0.83 MAPK14 (0.74) MAPK14MAPK12MAPK11MAPK13LMNA
SCHEMBL2082636 0.83 MAPK14 (0.73) MAPK14MAPK12MAPK11MAPK13
SCHEMBL2616990 0.83 MAPK14 (0.73) MAPK14MAPK12MAPK11MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK14 128/4885MAPK12 160/4885MAPK11 242/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPK14 100/4885MAPK12 99/4885MAPK11 189/4885

“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.