SCHEMBL442905

SCHEMBL442905

CC(C)Oc1nc(-c2cccnc2)nc2c1C(C(C)(C)C)N(C(=O)O)CC2

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.53
GBA1 P04062 1/20 0.38
CFTR P13569 1/20 0.36

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
SCHEMBL446133 0.85 PDE10A (0.41) PDE10AGBA1CFTR
SCHEMBL415027 0.73 PDE10A (0.70) PDE10AGBA1
SCHEMBL415684 0.70 PDE10A (1.00) PDE10A
SCHEMBL415038 0.66 PDE10A (0.81) PDE10A
SCHEMBL415689 0.65 PDE10A (0.55) PDE10A
SCHEMBL415709 0.62 PDE10A (1.00) PDE10AGBA1
SCHEMBL17667437 0.61 CYP11B2 (0.40)
SCHEMBL416075 0.60 PDE10A (0.52) PDE10AGBA1
SCHEMBL15977144 0.58 MAPT (0.67) GBA1
SCHEMBL22528261 0.58 DRD2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2434885-B1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
US-8492392-B2 Alkoxy tetrahydro-pyridopyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-23 US disclosed
US-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-15 US disclosed
WO-2010138430-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 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-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS PDE12, PDE4A, PDE5A PDE10A 6/4885GBA1 217/4885CFTR 2435/4885

“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.