SCHEMBL6018050

SCHEMBL6018050

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.46
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
APEX1 P27695 1/20 0.45
MAPT P10636 4/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL6017907 0.91 SCD (0.49) CLK4CLK1DYRK1AMEN1KMT2A
SCHEMBL6017668 0.89 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL6018056 0.89 CNR1 (0.51) CNR1CNR2HPGD
SCHEMBL6018272 0.87 KCNE1 (0.51) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL6017677 0.85 LMNA (0.48) CNR1CNR2APEX1HPGDLMNA
SCHEMBL6017777 0.84 CNR1 (0.48) CNR1CNR2HPGD
SCHEMBL6017911 0.84 SCD (0.49) CLK4DYRK1ACNR1CNR2
SCHEMBL6018646 0.83 PTGES (0.46) CNR1CNR2LMNA
SCHEMBL6017876 0.83 WDR5 (0.49) ALDH1A1CNR1CNR2APEX1MAPT
SCHEMBL6017692 0.82 MMP1 (0.47) MEN1KMT2AALDH1A1CNR1CNR2

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 CLK4 4259/4885CLK1 4264/4885DYRK1A 3138/4885

“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.