SCHEMBL6017784

SCHEMBL6017784

Cn1c(-c2c(F)cccc2F)nc(C(=O)NCc2ccc(F)cc2C(F)(F)F)c(O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.45
EPHX2 P34913 5/20 0.41
PPARG P37231 2/20 0.41
KCNE1 P15382 1/20 0.41
CCR1 P32246 1/20 0.41
KCNQ1 P51787 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
NTRK1 P04629 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL6017974 0.90 MAOB (0.43) P2RX7KCNE1CCR1KCNQ1
SCHEMBL6018064 0.84 KCNE1 (0.44) P2RX7PPARGKCNE1CCR1KCNQ1
SCHEMBL6017627 0.83 KCNE1 (0.54) KCNE1CCR1KCNQ1
SCHEMBL6017734 0.82 TACR1 (0.50) KCNE1CCR1KCNQ1
SCHEMBL6017651 0.82 ADORA2A (0.53) KCNE1CCR1KCNQ1
SCHEMBL6017870 0.81 KCNE1 (0.47) KCNE1CCR1KCNQ1CNR1CNR2
SCHEMBL6017839 0.79 SCD (0.46) KCNE1CCR1KCNQ1
SCHEMBL6017708 0.79 KCNE1 (0.48) KCNE1CCR1KCNQ1
SCHEMBL6017873 0.79 LMNA (0.41) KCNE1CCR1KCNQ1
SCHEMBL6017737 0.78 KCNE1 (0.44) KCNE1CCR1KCNQ1

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 P2RX7 624/4885EPHX2 2329/4885PPARG 3816/4885

“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.