SCHEMBL5208644

SCHEMBL5208644

COc1ccc2cc(C(=O)O)c(-c3cccc(NNC(C)=O)c3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.43
AKR1C3 P42330 5/20 0.42
AKR1C2 P52895 5/20 0.42
FYN P06241 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRAF P15056 2/20 0.41
MEN1 O00255 2/20 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
SCHEMBL5208343 0.83 ALDH1A1 (0.53) TACR3L3MBTL1LMNAHPGDSMN1; SMN2
SCHEMBL4496284 0.75 KDM4E (0.53) TACR3AKR1C3AKR1C2LMNAHPGD
SCHEMBL28010783 0.73 MTNR1A (0.60) SMN1; SMN2NPC1ALDH1A1RAB9AMEN1
SCHEMBL5208655 0.73 DYRK1A (0.40) AKR1C3AKR1C2SMN1; SMN2KDM4ENPC1
SCHEMBL4740452 0.73 GPBAR1 (0.56) LMNAHPGDSMN1; SMN2KDM4ENPC1
SCHEMBL4482947 0.72 AKR1C3 (0.58) AKR1C3AKR1C2LMNAHPGDSMN1; SMN2
SCHEMBL4487065 0.71 AKR1C3 (0.55) AKR1C3AKR1C2L3MBTL1KDM4ENPC1
SCHEMBL5202876 0.70 AKR1C3 (0.62) AKR1C3AKR1C2LMNAHPGDSMN1; SMN2
SCHEMBL5210533 0.70 IDO1 (0.48) LMNAHPGDSMN1; SMN2KDM4ENPC1
SCHEMBL2945200 0.70 ALDH1A1 (0.67) LMNAHPGDSMN1; SMN2KDM4ENPC1

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 5 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 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 TACR3 2296/4885AKR1C3 4378/4885AKR1C2 3944/4885

“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.