SCHEMBL5203834

SCHEMBL5203834

COc1ccc2cc(C(=O)O)c(Nc3ccc(C4CCCCC4)cc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.47
HPGDS O60760 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
SYK P43405 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.42
NPY5R Q15761 1/20 0.42
ESR1 P03372 1/20 0.42
PDGFRB P09619 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DHODH Q02127 2/20 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
SCHEMBL4482947 0.82 AKR1C3 (0.58) KDRAKR1C3AKR1C2ALDH1A1RAB9A
SCHEMBL5208003 0.82 AKR1C3 (0.49) KDRAKR1C3AKR1C2ALDH1A1RAB9A
SCHEMBL5202789 0.82 AKR1C3 (0.60) KDRAKR1C3AKR1C2ALDH1A1RAB9A
SCHEMBL5207762 0.82 AKR1C3 (0.49) KDRAKR1C3AKR1C2ALDH1A1RAB9A
SCHEMBL4484697 0.81 HPGDS (0.54) HPGDSSYKALDH1A1RAB9ANPC1
SCHEMBL5208486 0.81 AKR1C3 (0.50) KDRAKR1C3AKR1C2ALDH1A1RAB9A
SCHEMBL5203173 0.80 KDR (0.50) KDRAKR1C3AKR1C2ALDH1A1RAB9A
SCHEMBL4490131 0.80 AKR1C3 (0.47) KDRAKR1C3AKR1C2ALDH1A1RAB9A
SCHEMBL5205531 0.80 MAPT (0.53) KDRAKR1C3AKR1C2ALDH1A1RAB9A
SCHEMBL5204839 0.79 KDM4E (0.52) KDRHPGDSAKR1C3AKR1C2ALDH1A1

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 KDR 3985/4885HPGDS 1575/4885ADORA3 3065/4885

“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.