SCHEMBL2387642

SCHEMBL2387642

Cc1nnc(-c2cc[c]cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 9/20 0.36
HPGD P15428 5/20 0.36
HSD17B10 Q99714 3/20 0.36
POLB P06746 2/20 0.36
ALOX15 P16050 1/20 0.36
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
GAA P10253 4/20 0.34
MGAM O43451 3/20 0.34
SI P14410 3/20 0.34
MGAM2 Q2M2H8 3/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
GSK3B P49841 1/20 0.34
KMT2A Q03164 2/20 0.33
GLA P06280 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL738448 0.78 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL2421712 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAKDM4EPOLB
SCHEMBL392895 0.77 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAKDM4EHSD17B10
SCHEMBL711541 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAKDM4EPOLB
SCHEMBL11431180 0.77 KDM4E (0.60) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL16964229 0.76 GAA (0.50) ALDH1A1SMN1; SMN2LMNAGAANOTUM
SCHEMBL14970084 0.75 NPC1 (0.50) ALDH1A1SMN1; SMN2LMNAKDM4EHSD17B10
SCHEMBL9264165 0.75 KDM4E (0.60) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL17184682 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL17184845 0.75 CA1 (0.49) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD

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 18 patents. 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 claimed
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2013-08-01 US claimed
EP-2544679-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2013-01-16 EP claimed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US claimed
WO-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO claimed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 US claimed
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-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-20150133675-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2015-05-14 US disclosed
US-20140228581-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2014-08-14 US disclosed
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2013-08-01 US disclosed
EP-2544679-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2013-01-16 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 ALDH1A1 2053/4885SMN1; SMN2 527/4885LMNA 3928/4885
US-20140228581-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885SMN1; SMN2 527/4885LMNA 3928/4885
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885SMN1; SMN2 527/4885LMNA 3928/4885
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885SMN1; SMN2 527/4885LMNA 3928/4885
US-20150133675-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885SMN1; SMN2 527/4885LMNA 3928/4885
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885SMN1; SMN2 527/4885LMNA 3928/4885

“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.