SCHEMBL6017808

SCHEMBL6017808

Cc1ccc(CNC(=O)c2nc(-c3ccco3)n(C)c(=O)c2O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 2/20 0.45
BLM P54132 2/20 0.45
ADORA2A P29274 6/20 0.43
ADORA1 P30542 6/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA2B P29275 2/20 0.43
KCNE1 P15382 1/20 0.42
CCR1 P32246 1/20 0.42
KCNQ1 P51787 1/20 0.42
ALDH1A1 P00352 7/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
PTPN7 P35236 1/20 0.40

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
SCHEMBL6017670 0.92 MEN1 (0.44) MEN1MAPTKMT2APKMBLM
SCHEMBL6017762 0.89 MEN1 (0.53) MEN1MAPTKMT2APKMBLM
SCHEMBL6018523 0.87 KCNE1 (0.54) MEN1KMT2AADORA2AADORA1ADORA3
SCHEMBL6017795 0.85 MMP1 (0.50) MEN1KMT2APKMKCNE1CCR1
SCHEMBL6017674 0.82 SMN1; SMN2 (0.42) MAPTKCNE1CCR1KCNQ1LMNA
SCHEMBL6017737 0.81 KCNE1 (0.44) MEN1KMT2AADORA2AADORA1KCNE1
SCHEMBL6017994 0.81 KCNE1 (0.43) MEN1MAPTKMT2APKMBLM
SCHEMBL6017765 0.80 ALDH1A1 (0.41) MEN1MAPTKMT2AADORA3KCNE1
SCHEMBL6017668 0.80 MEN1 (0.47) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL6017934 0.80 TSHR (0.46) MEN1MAPTKMT2AADORA2AKCNE1

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 MEN1 4827/4885MAPT 2576/4885KMT2A 710/4885

“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.