SCHEMBL17439724

SCHEMBL17439724

COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)n3)c(=O)n(C)n2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 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
SCHEMBL16092068 0.90 PDE10A (0.85) PDE10A
SCHEMBL16092005 0.89 PDE10A (0.84) PDE10A
SCHEMBL20059828 0.89 PDE10A (1.00) PDE10A
SCHEMBL16092193 0.89 PDE10A (1.00) PDE10A
SCHEMBL16091988 0.88 PDE10A (1.00) PDE10A
SCHEMBL16091997 0.88 PDE10A (1.00) PDE10A
SCHEMBL20059568 0.88 PDE10A (1.00) PDE10A
SCHEMBL16092000 0.88 PDE10A (1.00) PDE10A
SCHEMBL20059906 0.88 PDE10A (1.00) PDE10A
SCHEMBL16122003 0.88 PDE10A (1.00) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968324-B1 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2018-04-18 EP claimed
US-9353104-B2 Substituted pyridizinone derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US claimed
US-20160016947-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-01-21 US claimed
EP-2968324-B1 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2018-04-18 EP disclosed
EP-2968324-B1 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2018-04-18 EP disclosed
US-9353104-B2 Substituted pyridizinone derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-9353104-B2 Substituted pyridizinone derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-20160016947-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-01-21 US disclosed
US-20160016947-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-01-21 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 (1 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-20160016947-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS PDE12, PDE5A, PDE10A PDE10A 3/4885

“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.