SCHEMBL5149463

SCHEMBL5149463

O=C(NCCCCCNc1nc(Cl)ncc1Br)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.50
HTT P42858 1/20 0.49
BRD4 O60885 3/20 0.48
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
SIRT5 Q9NXA8 1/20 0.47
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ANPEP P15144 1/20 0.43
TBK1 Q9UHD2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FOLH1 Q04609 1/20 0.41

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
SCHEMBL16057286 0.99 HTT (0.50) TGM2HTTBRD4KEAP1NFE2L2
SCHEMBL1284434 0.97 SIRT5 (0.50) TGM2HTTBRD4KEAP1NFE2L2
SCHEMBL27087948 0.80 LMNA (0.54) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL5151442 0.79 TBK1 (0.57) TGM2SIRT5STK17ATBK1
SCHEMBL3863540 0.79 SIRT5 (0.53) TGM2HTTBRD4KEAP1NFE2L2
SCHEMBL1284433 0.78 STK17B (0.46) TGM2HTTBRD4KEAP1NFE2L2
SCHEMBL1284430 0.78 STK17B (0.46) TGM2HTTBRD4KEAP1NFE2L2
SCHEMBL16055893 0.77 BRD4 (0.44) TGM2HTTBRD4KEAP1NFE2L2
SCHEMBL9524592 0.77 TGM2 (0.64) TGM2HTTBRD4KEAP1NFE2L2
SCHEMBL4549856 0.77 ALDH1A1 (0.39) HTTKEAP1NFE2L2LMNASMN1; SMN2

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 9 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-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 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-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-20040209895-A1 inhibit cyclin-dependent kinases and VEGF-receptor tyrosine kinases SCHERING AG (DE) 2004-10-21 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 (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 TGM2 2593/4885HTT 4545/4885BRD4 2073/4885
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 TGM2 2762/4885HTT 4188/4885BRD4 632/4885

“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.