SCHEMBL6017777

SCHEMBL6017777

Cn1c(-c2ccncc2)nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c1=O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.48
CNR2 P34972 10/20 0.48
HPGD P15428 1/20 0.46
WDR5 P61964 5/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL6017958 0.93 WDR5 (0.45) CNR1CNR2WDR5SMN1; SMN2
SCHEMBL6018056 0.91 CNR1 (0.51) CNR1CNR2HPGD
SCHEMBL6017911 0.89 SCD (0.49) CNR1CNR2WDR5
SCHEMBL6017674 0.88 SMN1; SMN2 (0.42) TSHRSMN1; SMN2
SCHEMBL6017907 0.87 SCD (0.49) CNR1CNR2TSHR
SCHEMBL6018627 0.85 CNR1 (0.51) CNR1CNR2HPGDWDR5TSHR
SCHEMBL6017761 0.84 CNR1 (0.47) CNR1CNR2HPGDWDR5
SCHEMBL6017686 0.84 KCNE1 (0.55) SMN1; SMN2
SCHEMBL6018050 0.84 CLK4 (0.46) CNR1CNR2HPGD
SCHEMBL6017692 0.84 MMP1 (0.47) CNR1CNR2WDR5

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 4 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
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 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-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 2956/4885HPGD 1117/4885

“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.