SCHEMBL2580431

SCHEMBL2580431

CCOC(=O)C(C(=O)OCC)c1cncc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
CTSA P10619 1/20 0.36
RAB9A P51151 1/20 0.36
MMP8 P22894 1/20 0.36
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TLR9 Q9NR96 1/20 0.35
CYP1A2 P05177 2/20 0.34

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
SCHEMBL30556962 0.87 MAPK1 (0.39) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL26122997 0.87 MAPK1 (0.39) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL16778254 0.86 ALDH1A1 (0.40) ALDH1A1LMNAMAPTTDP1CYP2C9
SCHEMBL24768615 0.84 LMNA (0.36) ALDH1A1LMNAMAPTTDP1CYP2C9
SCHEMBL16419566 0.84 LMNA (0.36) ALDH1A1LMNAMAPTTDP1CYP2C9
SCHEMBL20116210 0.83 CYP2C9 (0.39) ALDH1A1LMNAMAPTTDP1CYP2C9
SCHEMBL1811481 0.79 LMNA (0.57) LMNAKMT2ACTSARAB9A
SCHEMBL21381606 0.79 MAPK1 (0.37) LMNAMAPTKMT2AMEN1CTSA
SCHEMBL21381662 0.79 CTSA (0.34) ALDH1A1LMNAMAPTTDP1CYP2C9
SCHEMBL21392096 0.78 LMNA (0.52) ALDH1A1LMNAMAPTKMT2ACTSA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225471-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2022-01-18 US disclosed
WO-2022011211-A1 DEOXYNOJIRIMYCIN DERIVATIVES AS GLUCOSIDASE INHIBITORS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2022-01-13 WO disclosed
US-20210094938-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2021-04-01 US disclosed
EP-3709995-A1 ANTIDIABETIC BICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2020-09-23 EP disclosed
WO-2015011252-A1 PYRIMIDINE-PYRIDINONE SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-01-29 WO disclosed
US-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-01-29 US disclosed
US-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-01-29 US disclosed
WO-2015011252-A1 PYRIMIDINE-PYRIDINONE SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-01-29 WO disclosed
WO-2011137022-A1 AZAINDOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-03 WO disclosed
WO-2007035154-A1 NOVEL N-PYRAZINIL-PHENYLSULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF ASTHMA ASTRAZENECA AB (SE) 2007-03-29 WO disclosed
WO-2007035153-A1 NOVEL PROCESS FOR THE PREPARATION OF 6-METHYL-PYRAZIN-2-YLAMINE ASTRAZENECA AB (SE) 2007-03-29 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-11225471-B2 Antidiabetic bicyclic compounds GPR119, GPR65, GLP1R ALDH1A1 2734/4885LMNA 4178/4885MAPT 4367/4885
US-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 ALDH1A1 2413/4885LMNA 2523/4885MAPT 1138/4885
US-20210094938-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GPR65, GLP1R ALDH1A1 2734/4885LMNA 4178/4885MAPT 4367/4885

“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.