SCHEMBL876812

SCHEMBL876812

CC1CN(Cc2cn3ncccc3n2)CC1c1nn2c(C3CCOCC3)ncc2c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.71

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
SCHEMBL15279485 0.88 PDE9A (0.67) PDE9A
SCHEMBL15279564 0.85 PDE9A (0.76) PDE9A
SCHEMBL9933445 0.85 PDE9A (0.76) PDE9A
SCHEMBL15279515 0.84 PDE9A (0.75) PDE9A
SCHEMBL15279487 0.84 PDE9A (0.68) PDE9A
SCHEMBL882610 0.84 PDE9A (0.72) PDE9A
SCHEMBL15279570 0.84 PDE9A (0.81) PDE9A
SCHEMBL15266794 0.84 PDE9A (0.68) PDE9A
SCHEMBL15141940 0.83 PDE9A (0.78) PDE9A
SCHEMBL876862 0.83 PDE9A (0.78) 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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-06-01 US 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-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-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
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 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
WO-2013142269-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2013-09-26 WO disclosed
EP-2619208-A1 IMIDAZOTRIAZINONE COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2013-07-31 EP 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
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 (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-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-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.