SCHEMBL2251982

SCHEMBL2251982

CCOC(=O)Cn1c(=O)[nH]c2cccnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
DAO P14920 1/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 1/20 0.46
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GRIN1 Q05586 1/20 0.44

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
SCHEMBL15157018 0.84 DAO (0.49) MEN1KMT2ADAOALDH1A1KDM4E
SCHEMBL9981108 0.81 DAO (0.58) KMT2ADAOALDH1A1KDM4EHPGD
SCHEMBL2247787 0.80 DAO (0.54) MEN1KMT2ADAOALDH1A1KDM4E
SCHEMBL9535451 0.80 MEN1 (0.59) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL13332558 0.79 CYP1A2 (0.62) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL24312042 0.79 DAO (0.58) MEN1KMT2ADAOALDH1A1KDM4E
SCHEMBL1294865 0.79 DAO (0.47) MEN1KMT2ADAOALDH1A1MAPT
SCHEMBL30891925 0.79 ALDH1A1 (0.64) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL9139429 0.79 ALDH1A1 (0.64) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3120343 0.78 JAK2 (0.43) MEN1KMT2AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP disclosed
CN-103153995-B Condensed heterocyclic compouds as phosphodiesterase (PDES) inhibitor 武田药品工业株式会社 2016-08-10 CN disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 US disclosed
US-8846713-B2 Fused heterocyclic compounds as phosphodiesterases (PDEs) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-30 US disclosed
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-11-14 US disclosed
US-8563575-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-22 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 US disclosed
CN-103153995-A Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL 2013-06-12 CN disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 US disclosed
US-20110190336-A1 AZABENZIMIDAZOLONES CARA THERAPEUTICS, INC. (US) 2011-08-04 US disclosed
US-20110190336-A1 AZABENZIMIDAZOLONES CARA THERAPEUTICS, INC. (US) 2011-08-04 US disclosed
WO-2010045276-A2 AZABENZIMIDAZOLONES CARA THERAPEUTICS, INC. (US) 2010-04-22 WO disclosed
WO-2010045276-A2 AZABENZIMIDAZOLONES CARA THERAPEUTICS, INC. (US) 2010-04-22 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 (5 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-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A MEN1 3708/4885KMT2A 2378/4885DAO 345/4885
US-20110190336-A1 AZABENZIMIDAZOLONES PTGER1, PTGDR, PTGER2 MEN1 4553/4885KMT2A 3431/4885DAO 2104/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A MEN1 3479/4885KMT2A 871/4885DAO 665/4885
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A MEN1 3479/4885KMT2A 871/4885DAO 665/4885
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A MEN1 3708/4885KMT2A 2378/4885DAO 345/4885

“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.