SCHEMBL5111608

SCHEMBL5111608

COc1ccc(-c2cnc(N)c(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.61
ATR Q13535 1/20 0.55
CHEK2 O96017 5/20 0.54
PDPK1 O15530 1/20 0.51
CDK1 P06493 1/20 0.51
CDK2 P24941 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
SCD O00767 1/20 0.48
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5125287 0.89 SLC2A1 (0.54) SLC2A1ATRCHEK2PDPK1CDK1
Hydrochloric Acid SCHEMBL5118564 0.89 SLC2A1 (0.53) SLC2A1ATRCHEK2PDPK1CDK1
SCHEMBL5119173 0.87 SCD (0.56) SLC2A1CHEK2PDPK1CDK1CDK2
SCHEMBL5118649 0.86 CDK1 (0.69) CHEK2PDPK1CDK1CDK2MKNK1
SCHEMBL5114607 0.86 FYN (0.55) SLC2A1CHEK2PDPK1CDK1CDK2
Hydrochloric Acid SCHEMBL5111021 0.85 CDK1 (0.67) CHEK2PDPK1CDK1CDK2MKNK1
SCHEMBL5110951 0.81 CDK1 (0.70) SLC2A1ATRPDPK1CDK1CDK2
SCHEMBL2682065 0.81 SLC2A1 (0.67) SLC2A1ATRPDPK1CDK1CDK2
SCHEMBL2680558 0.80 SLC2A1 (0.66) SLC2A1ATRPDPK1CDK1CDK2
SCHEMBL2680312 0.80 SLC2A1 (0.66) SLC2A1ATRPDPK1CDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329678-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-12 US claimed
EP-1590339-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP claimed
US-20060148854-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 US claimed
JP-2006516626-A 2006-07-06 JP claimed
EP-1590339-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-11-02 EP claimed
WO-2004069160-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-08-19 WO claimed
US-7329678-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-12 US disclosed
US-7329678-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-12 US disclosed
EP-1590339-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP disclosed
US-20060148854-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 US disclosed
EP-1590339-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-11-02 EP disclosed
WO-2004069160-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-08-19 WO 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-20060148854-A1 Chemical compounds SGK1, SGK2, SGK3 SLC2A1 2869/4885ATR 2871/4885CHEK2 267/4885

“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.