SCHEMBL5205531

SCHEMBL5205531

CCOc1ccc(Nc2nc3cc(OC)ccc3cc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ESR1 P03372 2/20 0.53
HPGD P15428 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
KDR P35968 6/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 1/20 0.49
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SHMT2 P34897 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
AHR P35869 1/20 0.46
POLB P06746 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
SCHEMBL5203173 0.89 KDR (0.50) MAPTALDH1A1KDM4EESR1HPGD
SCHEMBL4482947 0.87 AKR1C3 (0.58) MAPTALDH1A1KDM4EHPGDKDR
SCHEMBL5207762 0.86 AKR1C3 (0.49) MAPTALDH1A1KDM4EKDRNPC1
SCHEMBL5202789 0.86 AKR1C3 (0.60) MAPTALDH1A1KDM4EHPGDKDR
SCHEMBL5208003 0.86 AKR1C3 (0.49) MAPTALDH1A1KDM4EESR1KDR
SCHEMBL5204839 0.85 KDM4E (0.52) MAPTALDH1A1KDM4EHPGDKDR
SCHEMBL5208486 0.85 AKR1C3 (0.50) MAPTALDH1A1KDM4EKDRNPC1
SCHEMBL4490131 0.84 AKR1C3 (0.47) MAPTALDH1A1KDM4EESR1KDR
SCHEMBL5210667 0.84 DHODH (0.51) MAPTALDH1A1KDM4EESR1HPGD
SCHEMBL5204286 0.83 MEN1 (0.52) MAPTALDH1A1KDM4EKDRNPC1

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 MAPT 1202/4885ALDH1A1 3983/4885KDM4E 2924/4885

“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.