SCHEMBL673690

SCHEMBL673690

CCCn1nc(C=O)c2ccc(OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
DYRK1A Q13627 5/20 0.43
PTGER4 P35408 1/20 0.42
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
SSTR5 P35346 1/20 0.39
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
CYP2C9 P11712 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
ATM Q13315 1/20 0.38
PDE5A O76074 1/20 0.37
MAPT P10636 2/20 0.37
MAOA P21397 1/20 0.36
APAF1 O14727 1/20 0.36

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
SCHEMBL12090345 0.81 ALDH1A1 (0.54) ALDH1A1DYRK1APTGER4KDM4EMAPT
Ammonia Solution, Strong SCHEMBL905842 0.79 ADORA2A (0.59) DYRK1APDE1APDE1BPDE1CADORA2A
SCHEMBL13794510 0.77 ALDH1A1 (0.49) ALDH1A1DYRK1APTGER4KDM4EHPGD
SCHEMBL14117773 0.77 ALDH1A1 (0.49) ALDH1A1DYRK1APTGER4KDM4EHPGD
SCHEMBL8231479 0.77 GLS (0.44) ALDH1A1PTGER4ADORA2AADORA2BKDM4E
SCHEMBL13794041 0.75 ALDH1A1 (0.42) ALDH1A1DYRK1APTGER4KDM4EGSK3B
Fumaric Acid SCHEMBL5678103 0.75 DYRK1A (0.49) ALDH1A1DYRK1APDE1APDE1BPDE1C
SCHEMBL10283795 0.75 ALDH1A1 (0.47) ALDH1A1DYRK1APTGER4PDE1APDE1B
SCHEMBL16533849 0.74 ENPP2 (0.47) PDE1APDE1BPDE1CMAPTMCL1
SCHEMBL670966 0.74 ALDH1A1 (0.46) ALDH1A1DYRK1APTGER4KDM4EHPGD

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
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 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-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 ALDH1A1 1467/4885DYRK1A 960/4885PTGER4 586/4885

“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.