SCHEMBL6093733

SCHEMBL6093733

Cc1cc(CNC(=O)c2nc(N3CCNCC3)n(C)c(=O)c2O)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 8/20 0.47
MMP13 P45452 6/20 0.44
KCNE1 P15382 1/20 0.41
CCR1 P32246 1/20 0.41
KCNQ1 P51787 1/20 0.41
MMP10 P09238 2/20 0.40
MMP8 P22894 2/20 0.40
KCNH2 Q12809 1/20 0.39
CYP2C9 P11712 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL6093967 0.92 MMP13 (0.47) MMP13KCNE1CCR1KCNQ1MMP10
SCHEMBL6094348 0.89 MMP13 (0.44) SOS1MMP13KCNE1CCR1KCNQ1
SCHEMBL6095011 0.89 MMP13 (0.44) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL6094909 0.88 MMP13 (0.44) MMP13KCNE1CCR1KCNQ1MMP10
SCHEMBL6094821 0.88 KCNE1 (0.50) SOS1KCNE1CCR1KCNQ1KCNH2
SCHEMBL6094065 0.88 MMP13 (0.45) MMP13KCNE1CCR1KCNQ1MMP10
SCHEMBL6094922 0.88 MMP13 (0.43) MMP13KCNE1CCR1KCNQ1
SCHEMBL6095046 0.88 MMP13 (0.43) MMP13KCNE1CCR1KCNQ1MMP10
SCHEMBL6087374 0.88 MMP13 (0.43) MMP13KCNE1CCR1KCNQ1MMP10
SCHEMBL6093299 0.87 MMP13 (0.42) MMP13KCNE1CCR1KCNQ1MMP10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SOS1 2181/4885MMP13 4367/4885KCNE1 3935/4885

“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.