SCHEMBL3107549

SCHEMBL3107549

CCOC(=O)c1cnc2ccc(OC)nc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.45
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 3/20 0.44
ATM Q13315 1/20 0.44
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL8327180 0.91 DYRK1A (0.45) DYRK1AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2951473 0.86 MAPK1 (0.47) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL621738 0.86 KMT2A (0.51) DYRK1AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL29810196 0.86 MAPK1 (0.46) DYRK1AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7920183 0.86 MAPK1 (0.46) DYRK1AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3373163 0.85 DYRK1A (0.47) DYRK1AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL8323524 0.84 CYP1A2 (0.56) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL15129874 0.84 POLB (0.37) TDP1POLB
SCHEMBL3786466 0.83 TSHR (0.46) DYRK1AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL8326859 0.83 DYRK1A (0.45) DYRK1AALDH1A1SMN1; SMN2MAPTLMNA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US disclosed
WO-2013003383-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO disclosed
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials GLAXO GROUP LIMITED (GB) 2010-10-07 US disclosed
EP-2029612-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS Glaxo Group Limited (GB) 2009-03-04 EP disclosed
WO-2008006648-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
EP-1719770-A2 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1320529-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-05-24 EP disclosed
US-20060079546-A1 Aminopiperidine derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. 2006-04-13 US disclosed
US-7001913-B1 Aminopiperidine derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-02-21 US disclosed
EP-1121355-B1 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2005-12-14 EP disclosed
EP-1127057-A1 NAPHTHYRIDINE COMPOUNDS AND THIER AZAISOSTERIC ANALOGUES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2001-08-29 EP disclosed
EP-1121355-A1 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2001-08-08 EP disclosed
WO-2001007432-A2 AMINOPIPERIDINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2001-02-01 WO disclosed
WO-2000043383-A1 PIPERIDINYLQUINOLINES AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2000-07-27 WO disclosed
WO-2000021948-A1 NAPHTHRYDINE COMPOUNDS AND THEIR AZAISOSTERIC ANALOGUES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 WO disclosed
WO-2000021952-A1 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 WO disclosed
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP disclosed
US-5780482-A TREATING RHEUMATIC DISEASES KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705260-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 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 (3 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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD DYRK1A 3083/4885ALDH1A1 802/4885SMN1; SMN2 3510/4885
US-20060079546-A1 Aminopiperidine derivatives as antibacterials NPEPPS, AMPD2, DNPEP DYRK1A 3319/4885ALDH1A1 1327/4885SMN1; SMN2 2020/4885
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials TOP1, TOP2A, NDC1 DYRK1A 1945/4885ALDH1A1 2362/4885SMN1; SMN2 2194/4885

“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.