SCHEMBL5208739

SCHEMBL5208739

COc1ccc2cc(C(=O)O)c(Nc3cccc4cccnc34)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
MAPT P10636 5/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
MECP2 P51608 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 3/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 2/20 0.48
PKM P14618 1/20 0.48
SLC40A1 Q9NP59 3/20 0.47
GLO1 Q04760 2/20 0.47
DHODH Q02127 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PLEC Q15149 1/20 0.45

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
SCHEMBL5207474 0.87 RECQL (0.50) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL4478341 0.84 CDC25B (0.52) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL5207273 0.81 AKR1C3 (0.46) KMT2AMEN1MAPTTP53SMN1; SMN2
SCHEMBL4490345 0.81 FABP3 (0.51) KMT2AMEN1MAPTTP53SMN1; SMN2
SCHEMBL4484788 0.80 AKR1C3 (0.46) MAPTTP53SMN1; SMN2LMNAHPGD
SCHEMBL4491211 0.79 ALDH1A1 (0.47) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL4482947 0.79 AKR1C3 (0.58) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL4495216 0.78 CXCR5 (0.46) KMT2AMEN1MAPTTP53SMN1; SMN2
SCHEMBL5206781 0.78 MEN1 (0.45) KMT2AMEN1MAPTMAPK1LMNA
SCHEMBL4487791 0.78 KDM4E (0.53) KMT2AMEN1MAPTMAPK1TP53

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 KMT2A 1719/4885MEN1 2633/4885MAPT 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.