SCHEMBL6017958

SCHEMBL6017958

Cc1ccc(CNC(=O)c2nc(-c3ccncc3)n(C)c(=O)c2O)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.45
KCNH2 Q12809 1/20 0.42
PAK1 Q13153 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
KCNE1 P15382 1/20 0.40
CCR1 P32246 1/20 0.40
KCNQ1 P51787 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL6017777 0.93 CNR1 (0.48) WDR5CNR1CNR2SMN1; SMN2
SCHEMBL6017692 0.91 MMP1 (0.47) WDR5PAK1MEN1KMT2ACNR1
SCHEMBL6017674 0.91 SMN1; SMN2 (0.42) KCNH2PAK1KCNE1CCR1KCNQ1
SCHEMBL6017854 0.90 EGLN1 (0.47) WDR5KCNH2EGLN1ALDH1A1
SCHEMBL6017619 0.85 CNR1 (0.43) WDR5CNR1CNR2KCNE1CCR1
SCHEMBL6017750 0.85 KDM4E (0.45) WDR5MEN1KMT2ACNR1CNR2
SCHEMBL6018056 0.84 CNR1 (0.51) CNR1CNR2
SCHEMBL6017779 0.83 KCNE1 (0.42) WDR5KMT2ACNR1CNR2KCNE1
SCHEMBL6017686 0.83 KCNE1 (0.55) KCNH2MEN1KMT2AKCNE1CCR1
SCHEMBL6017670 0.83 MEN1 (0.44) WDR5MEN1KMT2ACNR1CNR2

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 WDR5 804/4885KCNH2 2924/4885PAK1 1065/4885

“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.