SCHEMBL9968661

SCHEMBL9968661

Cc1ccc(Cl)cc1-c1ncc2c(=O)[nH]c(C3CN(Cc4ncccn4)CC3C)nn12

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.68

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
SCHEMBL877495 0.91 PDE9A (0.72) PDE9A
SCHEMBL15279480 0.90 PDE9A (0.79) PDE9A
SCHEMBL9933035 0.89 PDE9A (0.73) PDE9A
SCHEMBL878051 0.85 PDE9A (0.79) PDE9A
SCHEMBL15279481 0.82 PDE9A (0.85) PDE9A
SCHEMBL15151133 0.81 PDE9A (1.00) PDE9A
SCHEMBL19725089 0.81 PDE9A (1.00) PDE9A
SCHEMBL15148040 0.81 PDE9A (1.00) PDE9A
SCHEMBL15145103 0.81 PDE9A (1.00) PDE9A
SCHEMBL15266144 0.81 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
EP-3181566-A1 IMIDAZOTRIAZINONE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2017-06-21 EP disclosed
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-06-01 US disclosed
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-06-01 US disclosed
US-9540380-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-01-10 US disclosed
US-9540380-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-01-10 US disclosed
EP-2619208-B1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2016-11-09 EP disclosed
US-20150191476-A1 Imidazotriazinone Compounds FORUM PHARMACEUTICALS INC. 2015-07-09 US disclosed
US-20150191476-A1 Imidazotriazinone Compounds FORUM PHARMACEUTICALS INC. 2015-07-09 US disclosed
US-20140330014-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2014-11-06 US disclosed
US-20140330014-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2014-11-06 US disclosed
WO-2013142269-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2013-09-26 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
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-20140330014-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 PDE9A 1/4885
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 PDE9A 1/4885
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE12, PDE4A 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.