SCHEMBL2388110

SCHEMBL2388110

COC(C(=O)O)c1ccc(-n2nccn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.32
PPARA Q07869 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2391097 0.81 FAAH (0.39) ALDH1A1
SCHEMBL2388802 0.79 KDM4E (0.45) ALDH1A1KDM4E
SCHEMBL2387626 0.76 NOTUM (0.56) KEAP1ALDH1A1
SCHEMBL2386447 0.76 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL24327745 0.73 KEAP1 (0.55) KEAP1NFE2L2ALDH1A1GAAL3MBTL1
SCHEMBL5040593 0.73 SRC (0.46) KEAP1NFE2L2ALDH1A1GAAL3MBTL1
SCHEMBL28194345 0.73 CYP2C9 (0.46) KEAP1NFE2L2ALDH1A1GAAKMT2A
SCHEMBL29069338 0.73 KEAP1 (0.41) KEAP1NFE2L2ALDH1A1GAAL3MBTL1
SCHEMBL155984 0.73 ALDH1A1 (0.54) KEAP1NFE2L2ALDH1A1GAAL3MBTL1
SCHEMBL103235 0.73 ALDH1A1 (0.54) KEAP1NFE2L2ALDH1A1GAAL3MBTL1

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
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
US-10106516-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-10-23 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-9102643-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2015-08-11 US disclosed
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2013-08-01 US disclosed
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2013-08-01 US disclosed
CN-102869355-A Pde10 inhibitors and related compositions and methods OMEROS CORP 2013-01-09 CN disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
WO-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 US disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 US disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 US 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 (4 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-10106516-B2 PDE10 inhibitors and related compositions and methods PDE10A, PDE9A, PDE7A KEAP1 4524/4885NFE2L2 4500/4885ALDH1A1 2053/4885
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A KEAP1 4524/4885NFE2L2 4500/4885ALDH1A1 2053/4885
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A KEAP1 4524/4885NFE2L2 4500/4885ALDH1A1 2053/4885
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A KEAP1 4524/4885NFE2L2 4500/4885ALDH1A1 2053/4885

“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.