SCHEMBL2079352

SCHEMBL2079352

CCOC(=O)Cc1cccc(-n2nc(-c3ccccc3F)cc2N)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.41
F10 P00742 1/20 0.40
NPC1 O15118 2/20 0.40
NFKB1 P19838 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KLK6 Q92876 1/20 0.39
SCN9A Q15858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL2082148 0.90 NPC1 (0.44) MAPTTP53RXFP1POLBALDH1A1
SCHEMBL2084437 0.85 ALDH1A1 (0.56) MAPK14MAPTPOLBALDH1A1NPC1
SCHEMBL2081185 0.85 RAB9A (0.52) MAPTTP53POLBALDH1A1F10
SCHEMBL2085265 0.84 POLB (0.47) MAPTPOLBALDH1A1F10NPC1
SCHEMBL2085654 0.84 TYK2 (0.46) MAPTTP53RXFP1POLBALDH1A1
SCHEMBL2085681 0.81 MAPK14 (0.47) MAPK14MAPTPOLBALDH1A1NPC1
SCHEMBL2082661 0.80 MAPK14 (0.47) MAPK14MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2083826 0.79 KLKB1 (0.51)
SCHEMBL2083507 0.79 ALDH1A1 (0.38) MAPK14MAPTPOLBALDH1A1F10
SCHEMBL2078698 0.79 POLB (0.47) MAPK14MAPTTP53RXFP1POLB

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 9 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-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-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
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 128/4885MAPT 3484/4885TP53 214/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPK14 100/4885MAPT 3185/4885TP53 285/4885

“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.