SCHEMBL2617025

SCHEMBL2617025

CC1(C(=O)O)Cc2ccc(-n3nc(C(C)(C)C)cc3NC(=O)Nc3cc(F)ccc3F)cc2CN1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.52
MAPK13 O15264 9/20 0.52
MAPK12 P53778 8/20 0.52
MAPK11 Q15759 8/20 0.52
ABL1 P00519 2/20 0.48
BRAF P15056 1/20 0.43
FLT3 P36888 1/20 0.42
NTRK1 P04629 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42

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
SCHEMBL5547951 0.92 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11ABL1
Hydrochloric Acid SCHEMBL2081549 0.91 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2617024 0.83 ABL1 (0.69) MAPK14MAPK11ABL1BRAF
SCHEMBL2083343 0.83 ABL1 (0.69) MAPK14MAPK11ABL1BRAF
SCHEMBL2080268 0.76 ABL1 (0.57) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2083128 0.76 ABL1 (0.69) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2084884 0.76 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2083747 0.73 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2082895 0.73 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL2084383 0.73 ABL1 (0.59) MAPK14MAPK13MAPK12MAPK11ABL1

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 3 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-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

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.