SCHEMBL6017668

SCHEMBL6017668

COc1cccc(-c2nc(C(=O)NCc3ccc(C)c(C)c3)c(O)c(=O)n2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 5/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 3/20 0.45
GSK3B P49841 1/20 0.44
WDR5 P61964 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
COMT P21964 1/20 0.43
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MMP13 P45452 2/20 0.43
AURKA O14965 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DGAT2 Q96PD7 1/20 0.42
CHRM4 P08173 1/20 0.42

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
SCHEMBL6018601 0.91 TP53 (0.51) MEN1ALDH1A1KMT2APOLBTP53
SCHEMBL6018050 0.89 CLK4 (0.46) MEN1ALDH1A1KMT2APOLBTP53
SCHEMBL6018272 0.89 KCNE1 (0.51) MEN1ALDH1A1KMT2APOLBTP53
SCHEMBL6017795 0.88 MMP1 (0.50) MEN1ALDH1A1KMT2APOLBMMP13
SCHEMBL6017934 0.85 TSHR (0.46) MEN1ALDH1A1KMT2ALMNAMAPT
SCHEMBL6017674 0.83 SMN1; SMN2 (0.42) USP2LMNAMAPTGSK3BMMP13
SCHEMBL6018457 0.83 EGLN1 (0.47) MEN1ALDH1A1KMT2ATP53LMNA
SCHEMBL6017903 0.83 CDK2 (0.44) TP53MAPTGSK3BCHRM4
SCHEMBL6018060 0.82 TSHR (0.47) MEN1ALDH1A1KMT2ALMNAMAPT
SCHEMBL6017737 0.81 KCNE1 (0.44) MEN1KMT2AMMP13SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 US claimed
US-7037908-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US disclosed
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 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-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex DUT, CDK6, TYMS MEN1 4827/4885ALDH1A1 633/4885KMT2A 710/4885

“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.