SCHEMBL6017768

SCHEMBL6017768

CN(C)c1cccnc1-c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c(=O)n1C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.44
CNR2 P34972 11/20 0.44
WDR5 P61964 1/20 0.40
HPGD P15428 1/20 0.39
SCD O00767 2/20 0.39

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
SCHEMBL6017949 0.94 CNR1 (0.38) CNR1CNR2WDR5
SCHEMBL6017731 0.90 KCNE1 (0.37)
SCHEMBL6018260 0.87 KCNE1 (0.49) CNR1
SCHEMBL6018460 0.87 CNR1 (0.46) CNR1CNR2WDR5HPGD
SCHEMBL6017761 0.83 CNR1 (0.47) CNR1CNR2WDR5HPGD
SCHEMBL6018056 0.81 CNR1 (0.51) CNR1CNR2HPGD
SCHEMBL6017747 0.81 CNR1 (0.40) CNR1CNR2WDR5
SCHEMBL6017777 0.81 CNR1 (0.48) CNR1CNR2WDR5HPGD
SCHEMBL6017911 0.80 SCD (0.49) CNR1CNR2WDR5SCD
SCHEMBL6018223 0.78 CNR1 (0.48) CNR1CNR2HPGD

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 CNR1 2721/4885CNR2 2956/4885WDR5 804/4885

“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.