SCHEMBL4063504

SCHEMBL4063504

NS(=O)(=O)c1ccc(Nc2ncc(Br)c(NC3CCC(N4CCOCC4)CC3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.57
CA2 P00918 5/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA9 Q16790 2/20 0.51
IGF1R P08069 3/20 0.50
NUAK1 O60285 1/20 0.50
STK16 O75716 1/20 0.50
NTRK1 P04629 1/20 0.50
CSF1R P07333 1/20 0.50
CSNK2A2 P19784 1/20 0.50
TYK2 P29597 1/20 0.50
AAK1 Q2M2I8 1/20 0.50
ULK3 Q6PHR2 1/20 0.50
BMP2K Q9NSY1 1/20 0.50
TBK1 Q9UHD2 1/20 0.50
FGFR1 P11362 1/20 0.49
CDK1 P06493 2/20 0.48
CDK4 P11802 2/20 0.48
CDK2 P24941 2/20 0.48

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
SCHEMBL4062833 0.92 SYK (0.60) SYKCA2CA1CA9IGF1R
SCHEMBL4060202 0.89 SYK (0.60) SYKCA2IGF1RCDK1CDK4
SCHEMBL4059652 0.85 SYK (0.58) SYKCA2IGF1RCDK1CDK4
SCHEMBL4068789 0.84 SYK (0.68) SYKCA2IGF1RCDK1CDK4
SCHEMBL4070229 0.82 SYK (0.58) SYKCA2CA1CA9IGF1R
SCHEMBL4070220 0.82 SYK (0.58) SYKCA2CA1CA9IGF1R
SCHEMBL13648587 0.82 SYK (0.69) SYKCA2IGF1RCDK1CDK4
SCHEMBL4062092 0.82 SYK (0.66) SYKCA2IGF1RCDK1CDK4
SCHEMBL14498929 0.82 SYK (0.69) SYKCA2IGF1RCDK1CDK4
SCHEMBL4070462 0.82 SYK (0.69) SYKCA2IGF1RCDK1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 EP claimed
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
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 SYK 2576/4885CA2 4201/4885CA12 4857/4885

“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.