SCHEMBL2386447

SCHEMBL2386447

COC(C(=O)O)c1ccc(-n2cncn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
PDE2A O00408 1/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR1 P21453 4/20 0.41
GPR119 Q8TDV5 1/20 0.39
FBP1 P09467 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP26A1 O43174 1/20 0.39
POLB P06746 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38

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
SCHEMBL2387373 0.83 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1HSP90AA1MAPT
SCHEMBL2388802 0.77 KDM4E (0.45) KDM4EALDH1A1MAPTPDE2APOLB
SCHEMBL4488094 0.77 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EALDH1A1HSP90AA1MAPT
Hydrochloric Acid SCHEMBL31297429 0.77 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1HSP90AA1MAPT
SCHEMBL2388110 0.76 KEAP1 (0.35) SMN1; SMN2KDM4EALDH1A1
SCHEMBL2387626 0.74 NOTUM (0.56) ALDH1A1
SCHEMBL24774964 0.73 ALDH1A1 (0.57) SMN1; SMN2KDM4EALDH1A1HSP90AA1MAPT
SCHEMBL23680135 0.73 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1HSP90AA1MAPT
SCHEMBL1619037 0.73 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1HSP90AA1MAPT
SCHEMBL63446 0.73 CYP1A2 (0.62) SMN1; SMN2KDM4EALDH1A1HSP90AA1MAPT

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 31 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 SMN1; SMN2 527/4885KDM4E 2629/4885ALDH1A1 2053/4885
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A SMN1; SMN2 527/4885KDM4E 2629/4885ALDH1A1 2053/4885
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A SMN1; SMN2 527/4885KDM4E 2629/4885ALDH1A1 2053/4885
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A SMN1; SMN2 527/4885KDM4E 2629/4885ALDH1A1 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.