SCHEMBL2081981

SCHEMBL2081981

CC(C)(C)OC(=O)N1CCc2cc(-n3nc(C(C)(C)C)cc3NC(=O)NC3CCCCC3)ccc2C1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.60
MAPK13 O15264 6/20 0.60
MAPK12 P53778 5/20 0.60
MAPK11 Q15759 5/20 0.60
ESR2 Q92731 1/20 0.46
EPHX1 P07099 1/20 0.44
LMNA P02545 1/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
NR1H2 P55055 1/20 0.41
HPGDS O60760 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ABL1 P00519 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL2083981 0.84 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2616965 0.81 ESR2 (0.48) MAPK14MAPK13MAPK12MAPK11ESR2
SCHEMBL1187697 0.81 NPC1 (0.57) ESR2EPHX1NR1H2NPC1RAB9A
SCHEMBL1188094 0.80 NPC1 (0.58) ESR2EPHX1NR1H2NPC1RAB9A
SCHEMBL2083439 0.80 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL3299358 0.80 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2079663 0.78 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL2028664 0.78 ESR2 (0.57) ESR2LMNANR1H2HPGDSTHRB
SCHEMBL3296069 0.77 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL2082440 0.76 MAP3K7 (0.51) MAPK14MAPK13MAPK12MAPK11

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 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.