SCHEMBL6017692

SCHEMBL6017692

Cc1ccc(CNC(=O)c2nc(-c3ccccc3)n(C)c(=O)c2O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.47
MMP7 P09237 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
LIPG Q9Y5X9 2/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
EGLN1 Q9GZT9 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
PAK1 Q13153 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB1 P08183 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
WDR5 P61964 1/20 0.41

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
SCHEMBL6018056 0.93 CNR1 (0.51) MMP1MMP7MMP9MMP8MMP13
SCHEMBL6017958 0.91 WDR5 (0.45) CNR1CNR2EGLN1PAK1MEN1
SCHEMBL6017795 0.91 MMP1 (0.50) MMP1MMP7MMP9MMP8MMP13
SCHEMBL6017854 0.91 EGLN1 (0.47) EGLN1ALDH1A1WDR5
SCHEMBL6017750 0.88 KDM4E (0.45) CNR1CNR2MEN1KMT2AALDH1A1
SCHEMBL14173471 0.86 MMP1 (0.50) MMP1MMP7MMP9MMP8MMP13
SCHEMBL6017779 0.86 KCNE1 (0.42) LIPGCNR1CNR2KMT2AWDR5
SCHEMBL6017619 0.86 CNR1 (0.43) MMP1MMP7MMP9MMP8MMP13
SCHEMBL6017747 0.86 CNR1 (0.40) MMP1MMP7MMP9MMP8MMP13
SCHEMBL6018089 0.86 TSHR (0.45) CNR1CNR2ABCB1ALDH1A1WDR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MMP1 4687/4885MMP7 4205/4885MMP9 3894/4885

“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.