SCHEMBL6017832

SCHEMBL6017832

Cn1c(-c2ccccc2C(=O)O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KCNE1 P15382 1/20 0.51
CCR1 P32246 1/20 0.51
KCNQ1 P51787 1/20 0.51
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
PPARG P37231 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.44
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6017760 0.88 SMN1; SMN2 (0.57) KMT2ASMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6017632 0.86 KCNE1 (0.54) KMT2ASMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6017887 0.86 APEX1 (0.48) PPARG
SCHEMBL6018587 0.85 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6017938 0.82 KCNE1 (0.48) KMT2ASMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6017893 0.82 CCR1 (0.50) KMT2ASMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6017627 0.82 KCNE1 (0.54) KMT2ASMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL1150575 0.81 KCNE1 (0.56) KMT2ASMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL1150195 0.81 KCNE1 (0.56) KMT2ASMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6018991 0.81 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2KCNE1CCR1KCNQ1

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-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 claimed
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 KMT2A 710/4885CYP1A2 968/4885CYP2C19 1216/4885

“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.