SCHEMBL2082989

SCHEMBL2082989

CC(C)(C)c1cc(NC(=O)NC2CCCCC2)n(-c2ccc3c(c2)CCC(=O)N3)n1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.65
MAPK13 O15264 9/20 0.65
MAPK12 P53778 9/20 0.65
MAPK11 Q15759 9/20 0.65
ALDH1A1 P00352 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTK2B Q14289 3/20 0.42
CRBN Q96SW2 1/20 0.42
ABL1 P00519 1/20 0.41
CDK8 P49336 1/20 0.41

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
SCHEMBL2082590 0.83 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2083192 0.81 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2081733 0.81 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2079663 0.81 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2083439 0.81 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2617003 0.81 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2083056 0.81 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2079259 0.81 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2084463 0.81 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2082249 0.80 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11PTK2B

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 6 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
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

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 128/4885MAPK13 162/4885MAPK12 160/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPK14 100/4885MAPK13 118/4885MAPK12 99/4885

“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.