SCHEMBL5210667

SCHEMBL5210667

CCOc1ccc(Nc2nc3cc(OC)ccc3cc2C(=O)O)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.51
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
ESR1 P03372 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
CPS1 P31327 2/20 0.40
HPGDS O60760 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DYRK3 O43781 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
GSK3A P49840 1/20 0.40

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
SCHEMBL5207273 0.84 AKR1C3 (0.46) DHODHKDM4EALDH1A1HPGDMAPT
SCHEMBL5205531 0.84 MAPT (0.53) KDM4EALDH1A1HPGDMAPTESR1
SCHEMBL5206781 0.83 MEN1 (0.45) DHODHKDM4EALDH1A1HPGDMAPT
SCHEMBL4497845 0.80 DHODH (0.48) DHODHKDM4EALDH1A1HPGDMAPT
SCHEMBL4484788 0.79 AKR1C3 (0.46) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL5207762 0.77 AKR1C3 (0.49) DHODHKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4481447 0.76 FERMT2 (0.45) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL4482947 0.76 AKR1C3 (0.58) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL5203173 0.75 KDR (0.50) KDM4EALDH1A1HPGDMAPTESR1
SCHEMBL4490345 0.75 FABP3 (0.51) DHODHKDM4EALDH1A1HPGDMAPT

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 DHODH 2921/4885KDM4E 2924/4885ALDH1A1 3983/4885

“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.