SCHEMBL2080644

SCHEMBL2080644

Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(CC(=O)NCC(O)CO)c2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.69
MAPK14 Q16539 2/20 0.69
ABL1 P00519 13/20 0.53
BCR P11274 11/20 0.53
PDGFRA P16234 7/20 0.49
PDGFRB P09619 3/20 0.49
KIT P10721 4/20 0.48
EGFR P00533 2/20 0.47
PRKCA P17252 1/20 0.47
JAK3 P52333 1/20 0.47
BTK Q06187 1/20 0.47
ITK Q08881 1/20 0.47
PTK2 Q05397 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
SCHEMBL2616945 0.90 MAPK14 (0.55) BRAFMAPK14
SCHEMBL2083040 0.89 MAPK14 (0.52) BRAFMAPK14
SCHEMBL2082746 0.89 MAPK14 (0.78) BRAFMAPK14ABL1BCRPDGFRA
SCHEMBL2082457 0.86 BRAF (0.74) BRAFMAPK14ABL1BCRPDGFRA
SCHEMBL2082627 0.82 BRAF (0.78) BRAFMAPK14ABL1BCRPDGFRA
SCHEMBL2616946 0.78 MAPK14 (0.61) BRAFMAPK14
SCHEMBL4047769 0.78 BRAF (0.59) BRAFMAPK14ABL1BCRPDGFRA
SCHEMBL4058783 0.77 MAPK14 (0.69) BRAFMAPK14
SCHEMBL2083159 0.77 BRAF (0.77) BRAFMAPK14ABL1BCRPDGFRA
SCHEMBL16327296 0.77 BRAF (0.77) BRAFMAPK14ABL1BCRPDGFRA

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
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US claimed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP claimed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US claimed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO claimed
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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 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
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 (3 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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 BRAF 23/4885MAPK14 80/4885ABL1 2/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK BRAF 4/4885MAPK14 128/4885ABL1 1/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 BRAF 2/4885MAPK14 100/4885ABL1 20/4885

“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.