SCHEMBL16092001

SCHEMBL16092001

Cn1nc(O)cc(Br)c1=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
ESR1 P03372 1/20 0.31
ESRRA P11474 1/20 0.31
ESR2 Q92731 1/20 0.31
TNF P01375 1/20 0.30

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
SCHEMBL14926166 0.78 PDE10A (0.37) PDE10A
SCHEMBL10263142 0.77 SMN1; SMN2 (0.39) PDE10A
SCHEMBL14709246 0.75 PDE10A (0.36) PDE10A
SCHEMBL21384015 0.75 KDM4E (0.36) PDE10A
SCHEMBL19186324 0.71 SMN1; SMN2 (0.41)
SCHEMBL23812322 0.67
SCHEMBL15741153 0.67 HTR2C (0.36)
SCHEMBL173200 0.66
SCHEMBL81787 0.64
Hydrochloric Acid SCHEMBL21981571 0.64

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-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
WO-2014150114-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
WO-2014139150-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-18 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 (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 3/4885ESR1 4675/4885ESRRA 4090/4885

“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.