SCHEMBL5062196

SCHEMBL5062196

CCOC(=O)c1cnc(C(C)(C)C)nc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.69
NFKB1 P19838 8/20 0.53
JUN P05412 7/20 0.53
NFKB2 Q00653 7/20 0.53
RELA Q04206 7/20 0.53
FOS P01100 5/20 0.51
IDO1 P14902 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ATF1 P18846 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ACACB O00763 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL8543216 0.92 KDM4E (0.72) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL21341724 0.90 KDM4E (0.55) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL12775469 0.89 KDM4E (0.61) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL2354109 0.88 KDM4E (0.67) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL2352548 0.85 KDM4E (0.64) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL2119119 0.84 KDM4E (0.74) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL4592592 0.83 KDM4E (0.72) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL25415290 0.82 KDM4E (0.71) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL3922065 0.82 KDM4E (1.00) KDM4ENFKB1JUNNFKB2RELA
Water SCHEMBL4592788 0.82 KDM4E (0.71) KDM4ENFKB1JUNNFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 US disclosed
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 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 (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-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 KDM4E 2009/4885NFKB1 1539/4885JUN 1691/4885
US-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 KDM4E 953/4885NFKB1 2759/4885JUN 3749/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 KDM4E 2009/4885NFKB1 1539/4885JUN 1691/4885

“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.