SCHEMBL6095148

SCHEMBL6095148

Cn1c(N2CCOCC2)nc(C(=O)NCc2ccc(F)c(Cl)c2)c(O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.45
PIK3CB P42338 3/20 0.45
CYP3A4 P08684 2/20 0.45
AKT1 P31749 2/20 0.45
PIK3CG P48736 2/20 0.45
PPARG P37231 1/20 0.44
LMNA P02545 2/20 0.42
STAT6 P42226 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNE1 P15382 1/20 0.41
CCR1 P32246 1/20 0.41
KCNQ1 P51787 1/20 0.41
PIK3CA P42336 2/20 0.41
EGLN1 Q9GZT9 3/20 0.41
MAPK1 P28482 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.40
AADAT Q8N5Z0 1/20 0.39
HCRTR2 O43614 1/20 0.39
MYC P01106 1/20 0.39

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
SCHEMBL6094568 0.92 LMNA (0.51) LMNASTAT6SMN1; SMN2EGLN1AADAT
SCHEMBL6095011 0.91 MMP13 (0.44) PIK3CDPIK3CBCYP3A4AKT1PIK3CG
SCHEMBL6096527 0.89 KCNE1 (0.43) PPARGLMNAKCNE1CCR1KCNQ1
SCHEMBL6093745 0.88 KCNE1 (0.52) LMNASMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6093777 0.86 MAPT (0.44) PPARGLMNAKCNE1CCR1KCNQ1
SCHEMBL6094684 0.85 MMP13 (0.41) PPARGKCNE1CCR1KCNQ1EGLN1
SCHEMBL6093967 0.82 MMP13 (0.47) LMNASMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6094886 0.82 CALCA (0.53) SMN1; SMN2KCNE1CCR1KCNQ1MAPK1
SCHEMBL6094901 0.82 CALCA (0.46) KCNE1CCR1KCNQ1MAPK1
SCHEMBL6093911 0.81 KCNE1 (0.48) CYP3A4LMNASMN1; 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 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 PIK3CD 259/4885PIK3CB 88/4885CYP3A4 418/4885

“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.