SCHEMBL4166286

SCHEMBL4166286

CCOC(=O)c1ccc2nnccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
ALDH1A1 P00352 6/20 0.51
NPC1 O15118 6/20 0.51
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
STAT1 P42224 1/20 0.49
SIRT2 Q8IXJ6 3/20 0.48
HPGD P15428 3/20 0.48

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
SCHEMBL30159674 0.83 HTT (0.65) CA12CA1CA2CA7CA9
SCHEMBL1680653 0.83 HTT (0.65) CA12CA1CA2CA7CA9
SCHEMBL828067 0.81 ALOX15 (0.71) CA12CA1CA2CA7CA9
SCHEMBL8006874 0.80 NPC1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL27660959 0.79 ALOX15 (0.46) CA12CA1CA2CA9CA14
SCHEMBL9979785 0.79 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL707407 0.78 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL10272037 0.78 NPC1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL4684987 0.78 NPC1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL3267461 0.78 ALDH1A1 (0.55) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082349-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-03-26 US disclosed
EP-1996191-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-12-03 EP disclosed
US-20080261974-A1 Novel Chemical Compounds DUFFY KEVIN J 2008-10-23 US disclosed
EP-1940812-A2 NOVEL CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007103759-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
WO-2007038331-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 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 (2 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-20080261974-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CA12 4818/4885CA1 4879/4885CA2 4646/4885
US-20090082349-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA CA12 4591/4885CA1 4309/4885CA2 1982/4885

“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.