SCHEMBL2028664

SCHEMBL2028664

CC(C)(C)OC(=O)N1CCc2cc(-n3nc(C(C)(C)C)cc3N)ccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.57
NR1H2 P55055 1/20 0.56
HDAC1 Q13547 1/20 0.42
THRB P10828 1/20 0.41
HPGDS O60760 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NAMPT P43490 1/20 0.39
MAPK1 P28482 1/20 0.39
F12 P00748 3/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MAPT P10636 1/20 0.38
IGF1R P08069 1/20 0.37

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
SCHEMBL2028452 0.96 NR1H2 (0.62) ESR2NR1H2HDAC1THRBHPGDS
SCHEMBL2083054 0.94 NR1H2 (0.53) ESR2NR1H2HDAC1THRBHPGDS
SCHEMBL2082951 0.82 ESR2 (0.51) ESR2NR1H2HDAC1THRBHPGDS
SCHEMBL2025469 0.81 ESR2 (0.49) ESR2NR1H2HDAC1THRBHPGDS
SCHEMBL2083981 0.80 MAPK14 (0.59)
SCHEMBL2616965 0.80 ESR2 (0.48) ESR2NR1H2HDAC1THRBTMEM97
SCHEMBL2081981 0.78 MAPK14 (0.60) ESR2NR1H2THRBHPGDSLMNA
SCHEMBL61143 0.78 NR1H2 (0.90) ESR2NR1H2HDAC1NAMPTMAPK1
SCHEMBL29377835 0.78 NR1H2 (0.90) ESR2NR1H2HDAC1NAMPTMAPK1
SCHEMBL24934122 0.77 ESR2 (0.60) ESR2NR1H2HDAC1THRBTMEM97

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
EP-2073811-B1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS LLC (US) 2015-03-11 EP disclosed
US-8586565-B2 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2013-11-19 US disclosed
WO-2013036232-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2013-03-14 WO disclosed
US-20120225057-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-09-06 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-20110136760-A1 Kinase Inhibitors Useful for the Treatment of Myleoproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-06-09 US disclosed
US-7790756-B2 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2010-09-07 US disclosed
EP-2073811-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-07-01 EP 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
WO-2008046003-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 WO disclosed
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 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 (5 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-20120225057-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES ABL1, MCL1, ABL2 ESR2 3033/4885NR1H2 3115/4885HDAC1 2703/4885
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES MYLK3, MYLK, CDK3 ESR2 3281/4885NR1H2 3502/4885HDAC1 2143/4885
US-20110136760-A1 Kinase Inhibitors Useful for the Treatment of Myleoproliferative Diseases and other Proliferative Diseases MYLK3, MYLK, CDK3 ESR2 3281/4885NR1H2 3502/4885HDAC1 2143/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK ESR2 1406/4885NR1H2 3168/4885HDAC1 2704/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 ESR2 2347/4885NR1H2 4259/4885HDAC1 1935/4885

“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.