SCHEMBL6017677

SCHEMBL6017677

COc1cccc(OC)c1-c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c(=O)n1C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
CNR1 P21554 8/20 0.47
CNR2 P34972 7/20 0.47
APEX1 P27695 1/20 0.46
TSHR P16473 2/20 0.44
WDR5 P61964 2/20 0.44
KCNE1 P15382 1/20 0.44
CCR1 P32246 1/20 0.44
KCNQ1 P51787 1/20 0.44
ADORA2A P29274 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 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
SCHEMBL6017926 0.94 TSHR (0.44) LMNACNR1CNR2TSHRWDR5
SCHEMBL6017876 0.90 WDR5 (0.49) LMNACNR1CNR2APEX1TSHR
SCHEMBL6017934 0.89 TSHR (0.46) LMNATSHRWDR5KCNE1CCR1
SCHEMBL6018223 0.87 CNR1 (0.48) CNR1CNR2APEX1KCNE1CCR1
SCHEMBL6018704 0.87 KCNE1 (0.56) LMNAKCNE1CCR1KCNQ1ADORA2A
SCHEMBL6018050 0.85 CLK4 (0.46) LMNACNR1CNR2APEX1ADORA2A
SCHEMBL6017907 0.85 SCD (0.49) LMNACNR1CNR2TSHR
SCHEMBL6018056 0.84 CNR1 (0.51) CNR1CNR2HPGD
SCHEMBL6018089 0.84 TSHR (0.45) LMNACNR1CNR2TSHRWDR5
SCHEMBL6017777 0.82 CNR1 (0.48) CNR1CNR2TSHRWDR5HPGD

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 LMNA 3623/4885CNR1 2721/4885CNR2 2956/4885

“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.