SCHEMBL882603

SCHEMBL882603

C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nn2c(C3CCOCC3)ncc2c(=O)[nH]1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.85

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
SCHEMBL15142645 1.00 PDE9A (0.85) PDE9A
SCHEMBL877241 1.00 PDE9A (0.85) PDE9A
SCHEMBL16218300 1.00 PDE9A (0.85) PDE9A
SCHEMBL15263759 0.95 PDE9A (0.77) PDE9A
SCHEMBL15142157 0.92 PDE9A (1.00) PDE9A
SCHEMBL15142506 0.92 PDE9A (1.00) PDE9A
SCHEMBL15145295 0.92 PDE9A (1.00) PDE9A
SCHEMBL15279451 0.92 PDE9A (0.72) PDE9A
SCHEMBL15279503 0.92 PDE9A (0.83) PDE9A
SCHEMBL15142156 0.92 PDE9A (1.00) 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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-3178820-B1 PDE9- INHIBITORS WITH IMIDAZO TRIAZINONE BACKBONE H LUNDBECK AS (DK) 2017-12-20 EP 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-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 (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-20160213674-A1 PDE9 Inhibitors with Imidazo Triazinone Backbone PDE9A, PDE5A, PDE12 PDE9A 1/4885
US-20140330014-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 PDE9A 1/4885
US-20150045348-A1 PDE9 inhibitors with imidazo triazinone backbone PDE9A, PDE5A, PDE12 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.