SCHEMBL5234472

SCHEMBL5234472

Cc1ccc2cc(C(=O)O)c(C)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
SMN1; SMN2 Q16637 3/20 0.47
CSNK2A1 P68400 1/20 0.47
KDM4E B2RXH2 5/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.46
HSD17B10 Q99714 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
MAOB P27338 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 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
SCHEMBL14399033 0.84 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ASMN1; SMN2CSNK2A1
SCHEMBL28541276 0.84 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ASMN1; SMN2CSNK2A1
SCHEMBL16047470 0.84 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ASMN1; SMN2CSNK2A1
SCHEMBL23858345 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ASMN1; SMN2GABRP
SCHEMBL5203185 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL30251741 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ASMN1; SMN2GABRP
SCHEMBL1284870 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2807161 0.81 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL30445650 0.81 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2945200 0.80 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E

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 ALDH1A1 3983/4885MEN1 2633/4885KMT2A 1719/4885

“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.