SCHEMBL1837535

SCHEMBL1837535

CC(C)(C)OC(=O)N1Cc2c([nH]c(=O)[nH]c2=O)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
C5AR1 P21730 1/20 0.35
CDK2 P24941 7/20 0.34
CCNA2 P20248 6/20 0.34
CCNA1 P78396 6/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GSK3B P49841 2/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
DDB1 Q16531 3/20 0.32
CRBN Q96SW2 3/20 0.32
BUB1 O43683 1/20 0.32
PAK4 O96013 1/20 0.32
MAPK1 P28482 1/20 0.32
MARK1 Q9P0L2 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL16627099 0.76 CDK2 (0.43) NR1H2C5AR1CDK2CCNA2CCNA1
SCHEMBL7947109 0.76 NR1H2 (0.36) NR1H2C5AR1CDK2CCNA2CCNA1
SCHEMBL1368936 0.75 CDK2 (0.42) NR1H2C5AR1CDK2CCNA2CCNA1
SCHEMBL17536005 0.73 BUB1 (0.39) NR1H2C5AR1DDB1CRBNBUB1
SCHEMBL19195046 0.72 NR1H2 (0.38) NR1H2C5AR1CDK2CCNA2CCNA1
SCHEMBL26407436 0.72 NR1H2 (0.35) NR1H2C5AR1CDK2CCNA2CCNA1
SCHEMBL22095959 0.70 C5AR1 (0.39) NR1H2C5AR1CDK2CCNA2CCNA1
SCHEMBL17536013 0.70 CHRM2 (0.39) NR1H2BUB1MAPK1
SCHEMBL31138807 0.68 ADORA1 (0.45) NR1H2DDB1CRBNMAPK1KDM4E
SCHEMBL23537542 0.66 NR1H2 (0.35) NR1H2C5AR1BUB1MAPK1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
EP-2318377-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-05-11 EP disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 WO disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 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-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK NR1H2 911/4885C5AR1 4149/4885CDK2 89/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK NR1H2 911/4885C5AR1 4149/4885CDK2 89/4885

“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.