SCHEMBL5204839

SCHEMBL5204839

COc1ccc2cc(C(=O)O)c(Nc3ccc(C#N)cc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
GAA P10253 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CLK1 P49759 3/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDR P35968 3/20 0.46
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
HPGDS O60760 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL5203654 0.88 KDM4E (0.60) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL4482947 0.86 AKR1C3 (0.58) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL5205531 0.85 MAPT (0.53) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL4490131 0.85 AKR1C3 (0.47) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL5208003 0.85 AKR1C3 (0.49) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL5202789 0.85 AKR1C3 (0.60) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL5207762 0.85 AKR1C3 (0.49) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL5208486 0.84 AKR1C3 (0.50) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL5203173 0.83 KDR (0.50) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL5207302 0.82 MEN1 (0.50) KDM4EGAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372654-A4 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORP (US) 2007-10-03 EP claimed
US-7087758-B2 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION (US) 2006-08-08 US claimed
US-20050043352-A1 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION 2005-02-24 US claimed
EP-1372654-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SmithKline Beecham Corporation (US) 2004-01-02 EP claimed
WO-2002081728-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 WO claimed
EP-1372654-A4 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORP (US) 2007-10-03 EP disclosed
US-7087758-B2 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION (US) 2006-08-08 US disclosed
US-20050043352-A1 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION 2005-02-24 US disclosed
EP-1372654-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SmithKline Beecham Corporation (US) 2004-01-02 EP disclosed
WO-2002081728-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 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-20050043352-A1 Quinoline inhibitors of hyaki and hyak3 kinases HIPK3, HIPK1, HYPK KDM4E 2924/4885GAA 1013/4885MAPT 1202/4885

“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.