SCHEMBL2079682

SCHEMBL2079682

NC(=O)Cc1cccc(-n2nc(C(F)(F)F)cc2N)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.57
TRPV1 Q8NER1 6/20 0.50
MAPK14 Q16539 3/20 0.48
CARM1 Q86X55 5/20 0.47
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
EPHB2 P29323 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
SCHEMBL2083583 0.89 MAPK14 (0.60) KLKB1TRPV1MAPK14RAF1BRAF
SCHEMBL2083826 0.84 KLKB1 (0.51) KLKB1TRPV1CARM1
SCHEMBL14659672 0.77 TRPV1 (0.51) KLKB1TRPV1
SCHEMBL2084851 0.75 MAPK14 (0.47) KLKB1MAPK14RAF1BRAFEPHB2
SCHEMBL17064574 0.75 KLKB1 (0.82) KLKB1CARM1
SCHEMBL2081647 0.75 NPC1 (0.61) MAPK14RAF1BRAFEPHB2
SCHEMBL1012734 0.75 PTGS1 (0.63) KLKB1
SCHEMBL5474058 0.74 CARM1 (0.61) MAPK14CARM1
SCHEMBL1013431 0.74 ALDH1A1 (0.65) KLKB1TRPV1MAPK14
SCHEMBL4051322 0.74 KLKB1 (0.49) KLKB1

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 5 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
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 (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 KLKB1 1841/4885TRPV1 2872/4885MAPK14 128/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 KLKB1 2065/4885TRPV1 2537/4885MAPK14 100/4885

“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.