SCHEMBL6094959

SCHEMBL6094959

Cc1ncn(-c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.51
CCR1 P32246 1/20 0.51
KCNQ1 P51787 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LIPG Q9Y5X9 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP2C9 P11712 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
EGLN1 Q9GZT9 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
SCHEMBL6093853 0.89 MMP13 (0.47) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL6092877 0.86 CNR1 (0.46)
SCHEMBL6094920 0.80 KCNE1 (0.54) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL6094737 0.80 CYP2C9 (0.56) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL6094550 0.80 KCNH2 (0.54) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL7048893 0.79 KCNE1 (0.55) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL12776746 0.79 CYP2C9 (0.55) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL1150575 0.77 KCNE1 (0.56) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL6017760 0.77 SMN1; SMN2 (0.57) KCNE1CCR1KCNQ1SMN1; SMN2MEN1
SCHEMBL1150195 0.77 KCNE1 (0.56) KCNE1CCR1KCNQ1SMN1; SMN2MEN1

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
WO-2004062613-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 WO 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

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.