SCHEMBL15472003

SCHEMBL15472003

Cc1ccc2nc(C)c3nnc(-c4cc(OC[C@H](C)O)ccc4Cl)n3c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 20/20 1.00
▸ PDE10A Q9Y233 18/20 1.00

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
SCHEMBL15472005 1.00 PDE2A (1.00) PDE2APDE10A
SCHEMBL15471778 1.00 PDE2A (1.00) PDE2APDE10A
SCHEMBL16917480 0.87 PDE2A (0.78) PDE2APDE10A
SCHEMBL15471738 0.87 PDE2A (1.00) PDE2APDE10A
SCHEMBL15471991 0.87 PDE2A (1.00) PDE2APDE10A
SCHEMBL15471989 0.87 PDE2A (1.00) PDE2APDE10A
SCHEMBL15471817 0.87 PDE2A (1.00) PDE2APDE10A
SCHEMBL15472002 0.87 PDE2A (1.00) PDE2APDE10A
SCHEMBL15471752 0.86 PDE2A (1.00) PDE2APDE10A
SCHEMBL14054147 0.85 PDE2A (1.00) PDE2APDE10A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882749-B1 4-METHYL-2,3,5,9,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALENES BOEHRINGER INGELHEIM INT (DE) 2018-04-04 — — EP disclosed
US-9085584-B2 Substituted pyrido[3,2-E][1,2,4]-triazolo[4,3-A]pyrazines for the treatment of central nervous system disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-21 — — US disclosed
US-9085584-B2 Substituted pyrido[3,2-E][1,2,4]-triazolo[4,3-A]pyrazines for the treatment of central nervous system disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-21 — — US disclosed
US-20140045857-A1 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 — — US disclosed
US-20140045857-A1 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 — — US disclosed
US-20140045856-A1 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 — — US disclosed
US-20140045856-A1 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 — — 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 (2 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-20140045857-A1 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes PDE12, PDE2A, PDE3A PDE2A 2/4885PDE10A 15/4885
US-20140045856-A1 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes PDE12, PDE2A, PDE3A PDE2A 2/4885PDE10A 15/4885

“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.

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