SCHEMBL6017907

SCHEMBL6017907

COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)c(Cl)c3)c(O)c(=O)n2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.49
THRB P10828 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
RPA1 P27694 2/20 0.46
CNR1 P21554 3/20 0.46
CNR2 P34972 3/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.45
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
DYRK1A Q13627 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
ABCB1 P08183 1/20 0.44

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
SCHEMBL6018050 0.91 CLK4 (0.46) KDM4EMEN1ALDH1A1KMT2ACNR1
SCHEMBL6018601 0.88 TP53 (0.51) SCDTHRBKDM4EMEN1ALDH1A1
SCHEMBL6018646 0.88 PTGES (0.46) SCDCNR1CNR2TSHRLMNA
SCHEMBL6018056 0.88 CNR1 (0.51) CNR1CNR2
SCHEMBL6017777 0.87 CNR1 (0.48) CNR1CNR2TSHR
SCHEMBL6017778 0.85 KCNE1 (0.55) THRBMEN1KMT2ACNR2LMNA
SCHEMBL6017677 0.85 LMNA (0.48) CNR1CNR2TSHRLMNA
SCHEMBL6017876 0.84 WDR5 (0.49) KDM4EALDH1A1CNR1CNR2TSHR
SCHEMBL6017911 0.83 SCD (0.49) SCDCNR1CNR2DYRK1ACLK4
SCHEMBL6018627 0.82 CNR1 (0.51) MEN1ALDH1A1KMT2ACNR1CNR2

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 SCD 969/4885THRB 3037/4885KDM4E 736/4885

“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.