SCHEMBL5151966

SCHEMBL5151966

OCCCCNc1nc(Nc2cccc(O)c2)ncc1Br

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.70
MAPK8 P45983 1/20 0.55
TBK1 Q9UHD2 8/20 0.55
PDPK1 O15530 3/20 0.52
TAAR1 Q96RJ0 1/20 0.51
STK17B O94768 1/20 0.50
STK17A Q9UEE5 1/20 0.50

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
SCHEMBL656905 0.83 SYK (1.00) SYKMAPK8
SCHEMBL6016622 0.81 SYK (0.64) SYKMAPK8TBK1PDPK1
SCHEMBL13648675 0.80 STK17A (0.48) SYKTBK1PDPK1STK17BSTK17A
SCHEMBL3275303 0.79 SYK (0.92) SYKMAPK8
SCHEMBL13897915 0.79 TBK1 (0.75) TBK1PDPK1STK17BSTK17A
SCHEMBL6543152 0.79 SYK (0.61) SYKMAPK8TBK1PDPK1STK17A
SCHEMBL4067086 0.76 CA2 (0.66) TBK1STK17BSTK17A
SCHEMBL13898607 0.76 SYK (0.76) SYKMAPK8
SCHEMBL13898088 0.76 TBK1 (0.76) TBK1PDPK1STK17BSTK17A
SCHEMBL6829175 0.75 SYK (0.83) SYKMAPK8

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
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 US disclosed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 US disclosed
CN-100357295-C Macrocyclic pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2007-12-26 CN disclosed
US-7312225-B2 Macrocyclic pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-12-25 US disclosed
US-7312225-B2 Macrocyclic pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-12-25 US disclosed
US-7312225-B2 Macrocyclic pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-12-25 US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 US disclosed
EP-1530574-B1 MACROCYCLIC PYRIMIDINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS SCHERING AG (DE) 2006-11-22 EP disclosed
CN-1675225-A Macrocyclic pyrimidine compounds, process for their preparation and their use as pharmaceuticals SCHERING AG (DE) 2005-09-28 CN disclosed
EP-1530574-A1 MACROCYCLIC PYRIMIDINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-18 EP disclosed
US-20040209895-A1 inhibit cyclin-dependent kinases and VEGF-receptor tyrosine kinases SCHERING AG (DE) 2004-10-21 US disclosed
WO-2004026881-A1 MACROCYCLIC PYRIMIDINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-01 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-20040209895-A1 inhibit cyclin-dependent kinases and VEGF-receptor tyrosine kinases CCNK, CDK2, CDK1 SYK 771/4885MAPK8 291/4885TBK1 1948/4885
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 SYK 2576/4885MAPK8 496/4885TBK1 1519/4885

“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.