SCHEMBL6094863

SCHEMBL6094863

Cn1c(N2CCN(c3ccccc3)CC2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
KCNE1 P15382 1/20 0.49
CCR1 P32246 1/20 0.49
KCNQ1 P51787 1/20 0.49
TP53 P04637 1/20 0.48
CYP2C9 P11712 2/20 0.48
KCNH2 Q12809 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
HTR2B P41595 3/20 0.47
HTR7 P34969 2/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.44

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
SCHEMBL6094737 0.89 CYP2C9 (0.56) MEN1KMT2ASMN1; SMN2KCNE1CCR1
SCHEMBL6094550 0.89 KCNH2 (0.54) MEN1KMT2ASMN1; SMN2KCNE1CCR1
SCHEMBL6093745 0.88 KCNE1 (0.52) MEN1KMT2ASMN1; SMN2KCNE1CCR1
SCHEMBL6094922 0.88 MMP13 (0.43) MEN1KMT2ASMN1; SMN2KCNE1CCR1
SCHEMBL12776746 0.88 CYP2C9 (0.55) MEN1KMT2ASMN1; SMN2KCNE1CCR1
SCHEMBL6094769 0.88 CALCA (0.49) MEN1KMT2ASMN1; SMN2KCNE1CCR1
SCHEMBL6094768 0.87 KCNE1 (0.49) MEN1KMT2ASMN1; SMN2KCNE1CCR1
SCHEMBL6093740 0.87 MEN1 (0.48) MEN1KMT2ASMN1; SMN2KCNE1CCR1
SCHEMBL6093724 0.86 KCNE1 (0.49) MEN1KMT2ASMN1; SMN2KCNE1CCR1
SCHEMBL6093565 0.86 KCNE1 (0.49) MEN1KMT2ASMN1; SMN2KCNE1CCR1

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 2 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 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 MEN1 4267/4885KMT2A 1080/4885SMN1; SMN2 3629/4885

“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.