SCHEMBL2083779

SCHEMBL2083779

Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc3c(c2)C(=O)NCC3)no1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.47
PTK2B Q14289 7/20 0.47
MAPK13 O15264 7/20 0.46
MAPK12 P53778 6/20 0.46
MAPK11 Q15759 6/20 0.46
PTK2 Q05397 4/20 0.44
DDR2 Q16832 1/20 0.44
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 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
SCHEMBL2083019 0.83 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL2081460 0.81 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2083876 0.81 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL4235776 0.81 MAPK14 (0.49) MAPK14PTK2BMAPK13MAPK12MAPK11
SCHEMBL2081735 0.81 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2082249 0.80 MAPK14 (0.64) MAPK14PTK2BMAPK13MAPK12MAPK11
SCHEMBL2079731 0.80 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2083944 0.80 MAPK14 (0.66) MAPK14MAPK11
SCHEMBL16327268 0.79 PARP10 (0.46) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2083142 0.77 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11

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 128/4885PTK2B 53/4885MAPK13 162/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPK14 100/4885PTK2B 65/4885MAPK13 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.