SCHEMBL6017778

SCHEMBL6017778

COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.55
CCR1 P32246 1/20 0.55
KCNQ1 P51787 1/20 0.55
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.52
LIPG Q9Y5X9 1/20 0.52
THRB P10828 2/20 0.52
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
RCE1 Q9Y256 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
CNR2 P34972 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL1150575 0.89 KCNE1 (0.56) KCNE1CCR1KCNQ1POLBMAPT
SCHEMBL1150195 0.89 KCNE1 (0.56) KCNE1CCR1KCNQ1POLBMAPT
SCHEMBL6018272 0.89 KCNE1 (0.51) KCNE1CCR1KCNQ1POLBMAPT
SCHEMBL27616343 0.88 KCNE1 (0.54) KCNE1CCR1KCNQ1POLBMAPT
SCHEMBL6018074 0.88 KCNE1 (0.51) KCNE1CCR1KCNQ1POLBMAPT
SCHEMBL6017760 0.87 SMN1; SMN2 (0.57) KCNE1CCR1KCNQ1POLBMAPT
SCHEMBL6018601 0.87 TP53 (0.51) POLBMAPTTHRBLMNATP53
SCHEMBL6017686 0.86 KCNE1 (0.55) KCNE1CCR1KCNQ1POLBLIPG
SCHEMBL1150452 0.86 KCNE1 (0.53) KCNE1CCR1KCNQ1POLBMAPT
SCHEMBL6018290 0.86 KCNE1 (0.53) KCNE1CCR1KCNQ1POLBMAPT

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 KCNE1 3647/4885CCR1 1187/4885KCNQ1 2858/4885

“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.