SCHEMBL6017974

SCHEMBL6017974

Cn1c(-c2c(F)cccc2F)nc(C(=O)NCc2ccc(F)cc2F)c(O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
PDE10A Q9Y233 1/20 0.43
NAMPT P43490 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNE1 P15382 1/20 0.42
CCR1 P32246 1/20 0.42
KCNQ1 P51787 1/20 0.42
MET P08581 1/20 0.41
POLB P06746 1/20 0.41
P2RX7 Q99572 6/20 0.39
CYP3A4 P08684 2/20 0.39
SLC22A2 O15244 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
GSK3B P49841 1/20 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
SCHEMBL6017784 0.90 P2RX7 (0.45) KCNE1CCR1KCNQ1P2RX7
SCHEMBL6017627 0.87 KCNE1 (0.54) MEN1KMT2AKCNE1CCR1KCNQ1
SCHEMBL6017651 0.86 ADORA2A (0.53) MAOBPDE10AMEN1KMT2AKCNE1
SCHEMBL6017839 0.83 SCD (0.46) MAOBPDE10ANAMPTMEN1KMT2A
SCHEMBL6017708 0.82 KCNE1 (0.48) MEN1KMT2AKCNE1CCR1KCNQ1
SCHEMBL6017873 0.82 LMNA (0.41) MAOBMEN1KMT2AKCNE1CCR1
SCHEMBL6017737 0.82 KCNE1 (0.44) MEN1KMT2AKCNE1CCR1KCNQ1
SCHEMBL6018572 0.81 KMT2A (0.49) MEN1KMT2AKCNE1CCR1KCNQ1
SCHEMBL6018223 0.80 CNR1 (0.48) MEN1KMT2AKCNE1CCR1KCNQ1
SCHEMBL6017734 0.80 TACR1 (0.50) MAOBKCNE1CCR1KCNQ1

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 MAOB 2249/4885PDE10A 2802/4885NAMPT 73/4885

“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.