SCHEMBL6017670

SCHEMBL6017670

Cc1ccc(CNC(=O)c2nc(-c3ccco3)n(C)c(=O)c2O)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.43
PKM P14618 2/20 0.43
BLM P54132 1/20 0.43
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
ADORA2A P29274 5/20 0.41
ADORA1 P30542 5/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2B P29275 3/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
WDR5 P61964 2/20 0.41
POLB P06746 1/20 0.40
KCNE1 P15382 1/20 0.40
CCR1 P32246 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
SCHEMBL6017762 0.94 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL6017808 0.92 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL6017692 0.85 MMP1 (0.47) MEN1KMT2AALDH1A1PKMTP53
SCHEMBL6018523 0.85 KCNE1 (0.54) MEN1KMT2ALMNAADORA2AADORA1
SCHEMBL6017958 0.83 WDR5 (0.45) MEN1KMT2AALDH1A1CNR1CNR2
SCHEMBL6017779 0.82 KCNE1 (0.42) KMT2AADORA2AADORA1CNR1CNR2
SCHEMBL6017619 0.82 CNR1 (0.43) CNR1CNR2WDR5KCNE1CCR1
SCHEMBL6017750 0.81 KDM4E (0.45) MEN1KMT2AALDH1A1MAPK1CNR1
SCHEMBL6017854 0.81 EGLN1 (0.47) ALDH1A1WDR5
SCHEMBL6017926 0.81 TSHR (0.44) KMT2AALDH1A1MAPTHTTLMNA

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 4827/4885KMT2A 710/4885ALDH1A1 633/4885

“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.