SCHEMBL6017760

SCHEMBL6017760

Cn1c(-c2ccccc2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
KCNE1 P15382 1/20 0.56
CCR1 P32246 1/20 0.56
KCNQ1 P51787 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MMP1 P03956 1/20 0.51
MMP7 P09237 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HMGCR P04035 2/20 0.51
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
ERCC1 P07992 1/20 0.48
FEN1 P39748 1/20 0.48
ERCC4 Q92889 1/20 0.48
LIPG Q9Y5X9 1/20 0.47

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
SCHEMBL6017840 0.92 ALDH1A1 (0.55) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL1150195 0.91 KCNE1 (0.56) SMN1; SMN2KCNE1CCR1KCNQ1MEN1
SCHEMBL1150575 0.91 KCNE1 (0.56) SMN1; SMN2KCNE1CCR1KCNQ1MEN1
SCHEMBL6017686 0.90 KCNE1 (0.55) SMN1; SMN2KCNE1CCR1KCNQ1MEN1
SCHEMBL6017751 0.90 KCNE1 (0.51) SMN1; SMN2KCNE1CCR1KCNQ1MEN1
SCHEMBL27616343 0.89 KCNE1 (0.54) SMN1; SMN2KCNE1CCR1KCNQ1MEN1
SCHEMBL6017832 0.88 KMT2A (0.52) SMN1; SMN2KCNE1CCR1KCNQ1MEN1
SCHEMBL6018290 0.87 KCNE1 (0.53) SMN1; SMN2KCNE1CCR1KCNQ1MEN1
SCHEMBL6017778 0.87 KCNE1 (0.55) SMN1; SMN2KCNE1CCR1KCNQ1MEN1
SCHEMBL1150452 0.87 KCNE1 (0.53) SMN1; SMN2KCNE1CCR1KCNQ1MEN1

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-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

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 SMN1; SMN2 4081/4885KCNE1 3647/4885CCR1 1187/4885

“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.