SCHEMBL6094768

SCHEMBL6094768

CC(=O)N1CCN(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.49
CCR1 P32246 1/20 0.49
KCNQ1 P51787 1/20 0.49
KCNH2 Q12809 1/20 0.49
CYP2C9 P11712 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
GFER P55789 1/20 0.47
ENPP2 Q13822 1/20 0.46
LIPG Q9Y5X9 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CALCA P06881 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ERCC1 P07992 1/20 0.41

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
SCHEMBL6095054 0.90 KCNE1 (0.48) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL6094550 0.90 KCNH2 (0.54) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL6094737 0.90 CYP2C9 (0.56) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL12776746 0.89 CYP2C9 (0.55) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL6094909 0.88 MMP13 (0.44) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL6093911 0.88 KCNE1 (0.48) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL6093724 0.87 KCNE1 (0.49) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL6094863 0.87 MEN1 (0.52) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL6093565 0.87 KCNE1 (0.49) KCNE1CCR1KCNQ1KCNH2CYP2C9
SCHEMBL6093745 0.87 KCNE1 (0.52) KCNE1CCR1KCNQ1KCNH2CYP2C9

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-7135467-B2 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 (US) 2006-11-14 US claimed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
US-7135467-B2 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 (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004062613-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 KCNE1 3935/4885CCR1 660/4885KCNQ1 4594/4885

“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.