SCHEMBL6018627

SCHEMBL6018627

Cc1ccc(-c2nc(C(=O)NCc3ccc(Cl)c(Cl)c3)c(O)c(=O)n2C)n1C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.51
CNR2 P34972 12/20 0.51
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNE1 P15382 1/20 0.42
CCR1 P32246 1/20 0.42
KCNQ1 P51787 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.42
PABPC1 P11940 1/20 0.42
S100A4 P26447 1/20 0.42
EIF4H Q15056 1/20 0.42
WDR5 P61964 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
SCHEMBL6017619 0.93 CNR1 (0.43) CNR1CNR2KCNE1CCR1KCNQ1
SCHEMBL6017994 0.88 KCNE1 (0.43) CNR1CNR2HPGDMEN1KMT2A
SCHEMBL6018056 0.86 CNR1 (0.51) CNR1CNR2HPGD
SCHEMBL6017764 0.85 KCNE1 (0.55) MEN1KMT2AALDH1A1KCNE1CCR1
SCHEMBL6017777 0.85 CNR1 (0.48) CNR1CNR2HPGDTSHRWDR5
SCHEMBL6018223 0.84 CNR1 (0.48) CNR1CNR2HPGDMEN1KMT2A
SCHEMBL6017907 0.82 SCD (0.49) CNR1CNR2MEN1KMT2AALDH1A1
SCHEMBL6017761 0.82 CNR1 (0.47) CNR1CNR2HPGDWDR5
SCHEMBL6017762 0.82 MEN1 (0.53) CNR1CNR2HPGDMEN1KMT2A
SCHEMBL6017887 0.81 APEX1 (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 5 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
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 WO 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.