SCHEMBL4486308

SCHEMBL4486308

COc1ccc2cc(C(=O)O)c(NCCc3ccncc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.50
CSNK2A2 P19784 3/20 0.48
CSNK2A1 P68400 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ACP1 P24666 2/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
PTGDR Q13258 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
TACR3 P29371 1/20 0.42
CSNK2B P67870 1/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
SLC16A3 O15427 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.41
CYP1A2 P05177 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
SCHEMBL4497855 0.92 PTGDR (0.51) CSNK2A2CSNK2A1ALDH1A1ACP1GPBAR1
SCHEMBL4488036 0.91 TACR3 (0.51) CSNK2A2CSNK2A1ACP1GPBAR1PTGDR
SCHEMBL4478359 0.89 PTGDR (0.46) CSNK2A2CSNK2A1ALDH1A1GPBAR1PTGDR
SCHEMBL4484812 0.88 PTGDR (0.46) CSNK2A2CSNK2A1ALDH1A1GPBAR1PTGDR
SCHEMBL4484055 0.88 CSNK2A2 (0.52) CSNK2A2CSNK2A1ALDH1A1ACP1GPBAR1
SCHEMBL4487805 0.87 NFKB1 (0.48) CSNK2A2CSNK2A1ACP1GPBAR1PTGDR
SCHEMBL4492686 0.87 CSNK2A2 (0.55) CSNK2A2CSNK2A1ALDH1A1MEN1KMT2A
SCHEMBL4493553 0.85 KMT2A (0.57) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL4488271 0.85 MAPT (0.50) ALDH1A1PTGDRMEN1KMT2AMAPT
SCHEMBL4490373 0.85 CA1 (0.55) ALDH1A1KMT2AMAPTTP53KDM4E

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-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US claimed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP claimed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US claimed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP claimed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO claimed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP disclosed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US disclosed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP disclosed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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-20060106058-A1 Chemical compounds YARS1, DAPK3, NEK3 PGK1 220/4885CSNK2A2 239/4885CSNK2A1 248/4885

“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.