SCHEMBL3863540

SCHEMBL3863540

CC(C)OC(=O)c1cnc(Cl)nc1NCCCNC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 6/20 0.53
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46
BRD4 O60885 2/20 0.45
HTT P42858 1/20 0.44
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TGM2 P21980 1/20 0.41
FOLH1 Q04609 1/20 0.40

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
SCHEMBL1284434 0.81 SIRT5 (0.50) SIRT5STK17BSTK17ABRD4HTT
SCHEMBL16057286 0.79 HTT (0.50) SIRT5STK17BSTK17ABRD4HTT
SCHEMBL3865708 0.79 SIRT5 (0.49) SIRT5
SCHEMBL5149463 0.79 TGM2 (0.50) SIRT5STK17BSTK17ABRD4HTT
SCHEMBL1284433 0.77 STK17B (0.46) SIRT5STK17BSTK17ABRD4HTT
SCHEMBL1284430 0.77 STK17B (0.46) SIRT5STK17BSTK17ABRD4HTT
SCHEMBL3863544 0.76 BRD4 (0.47) BRD4HTTKEAP1NFE2L2L3MBTL1
SCHEMBL16055893 0.74 BRD4 (0.44) STK17BSTK17ABRD4HTTKEAP1
SCHEMBL2840246 0.70 HTT (0.56) BRD4HTTKEAP1NFE2L2L3MBTL1
SCHEMBL10032568 0.70 HTT (0.67) HTTKEAP1NFE2L2L3MBTL1LMNA

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-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
EP-1565446-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-24 EP disclosed
US-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-23 US disclosed
WO-2004048343-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-10 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 (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-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents DCK, PDPK1, DTYMK SIRT5 3217/4885STK17B 247/4885STK17A 226/4885

“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.