SCHEMBL883037

SCHEMBL883037

COc1cccc(CN2CC(C)C(c3nn4c(C5CCOCC5)ncc4c(=O)[nH]3)C2)n1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.75

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
SCHEMBL19006095 0.93 PDE9A (0.70) PDE9A
SCHEMBL19006093 0.89 PDE9A (0.73) PDE9A
SCHEMBL9933445 0.86 PDE9A (0.76) PDE9A
SCHEMBL15142642 0.86 PDE9A (1.00) PDE9A
SCHEMBL15279515 0.86 PDE9A (0.75) PDE9A
SCHEMBL882671 0.85 PDE9A (0.70) PDE9A
SCHEMBL15279564 0.85 PDE9A (0.76) PDE9A
SCHEMBL15279422 0.85 PDE9A (0.83) PDE9A
SCHEMBL15279452 0.84 PDE9A (0.71) PDE9A
SCHEMBL15279460 0.84 PDE9A (0.75) PDE9A

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US claimed
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-06-01 US claimed
US-9533992-B2 PDE9 inhibitors with imidazo triazinone backbone H. LUNDBECK A/S (DK) 2017-01-03 US claimed
US-20160213674-A1 PDE9 Inhibitors with Imidazo Triazinone Backbone H. LUNDBECK A/S (DK) 2016-07-28 US claimed
US-20150191476-A1 Imidazotriazinone Compounds FORUM PHARMACEUTICALS INC. 2015-07-09 US claimed
US-20150045348-A1 PDE9 inhibitors with imidazo triazinone backbone H. LUNDBECK A/S (DK) 2015-02-12 US claimed
EP-2807163-A1 PDE9 INHIBITORS WITH IMIDAZO TRIAZINONE BACKBONE H. Lundbeck A/S (DK) 2014-12-03 EP claimed
WO-2013110768-A1 PDE9 INHIBITORS WITH IMIDAZO TRIAZINONE BACKBONE H. LUNDBECK A/S (DK) 2013-08-01 WO claimed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9850249-B2 PDE9 inhibitors with imidazo triazinone backbone H. LUNDBECK A/S (DK) 2017-12-26 US disclosed
US-9850249-B2 PDE9 inhibitors with imidazo triazinone backbone H. LUNDBECK A/S (DK) 2017-12-26 US disclosed
US-9850249-B2 PDE9 inhibitors with imidazo triazinone backbone H. LUNDBECK A/S (DK) 2017-12-26 US disclosed
WO-2013110768-A1 PDE9 INHIBITORS WITH IMIDAZO TRIAZINONE BACKBONE H. LUNDBECK A/S (DK) 2013-08-01 WO disclosed
WO-2013110768-A1 PDE9 INHIBITORS WITH IMIDAZO TRIAZINONE BACKBONE H. LUNDBECK A/S (DK) 2013-08-01 WO disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 US disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 US disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 US disclosed
WO-2012040230-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2012-03-29 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-20160213674-A1 PDE9 Inhibitors with Imidazo Triazinone Backbone PDE9A, PDE5A, PDE12 PDE9A 1/4885
US-20150045348-A1 PDE9 inhibitors with imidazo triazinone backbone PDE9A, PDE5A, PDE12 PDE9A 1/4885
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 PDE9A 1/4885
US-20150191476-A1 Imidazotriazinone Compounds PDE9A, PDE12, PDE4A PDE9A 1/4885
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 PDE9A 1/4885

“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.