SCHEMBL5208003

SCHEMBL5208003

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.49
AKR1C2 P52895 8/20 0.49
KDR P35968 7/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
ESR1 P03372 1/20 0.44
PDGFRB P09619 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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 0.89 AKR1C3 (0.58) AKR1C3AKR1C2KDRNPC1ALDH1A1
SCHEMBL5202789 0.88 AKR1C3 (0.60) AKR1C3AKR1C2KDRNPC1ALDH1A1
SCHEMBL5207762 0.88 AKR1C3 (0.49) AKR1C3AKR1C2KDRNPC1ALDH1A1
SCHEMBL5208486 0.87 AKR1C3 (0.50) AKR1C3AKR1C2KDRNPC1ALDH1A1
SCHEMBL5207302 0.87 MEN1 (0.50) AKR1C3AKR1C2KDRNPC1ALDH1A1
SCHEMBL4490131 0.86 AKR1C3 (0.47) AKR1C3AKR1C2KDRNPC1ALDH1A1
SCHEMBL5203173 0.86 KDR (0.50) AKR1C3AKR1C2KDRNPC1ALDH1A1
SCHEMBL5205531 0.86 MAPT (0.53) AKR1C3AKR1C2KDRNPC1ALDH1A1
SCHEMBL5204839 0.85 KDM4E (0.52) AKR1C3AKR1C2KDRNPC1ALDH1A1
SCHEMBL5203604 0.85 MAPK8 (0.49) AKR1C3AKR1C2KDRNPC1ALDH1A1

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 AKR1C3 4378/4885AKR1C2 3944/4885KDR 3985/4885

“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.