SCHEMBL415023

SCHEMBL415023

CC(C)(C)OC(=O)N1CCc2nc(-c3cccnc3)[nH]c(=O)c2C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 8/20 0.52
MAPT P10636 1/20 0.46
KIT P10721 1/20 0.45
GBA1 P04062 1/20 0.45
NAMPT P43490 2/20 0.45
PDE10A Q9Y233 3/20 0.44
GPR119 Q8TDV5 2/20 0.44
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42

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
SCHEMBL9610905 0.88 MTHFD2 (0.53) MTHFD2MAPTPDE10AGPR119PARP1
SCHEMBL415705 0.84 MTHFD2 (0.47) MTHFD2MAPTPDE10A
SCHEMBL31516387 0.82 MTHFD2 (0.57) MTHFD2KITPARP1TNKS2PARP2
SCHEMBL23972307 0.81 KIT (0.41) MTHFD2MAPTKITGBA1NAMPT
SCHEMBL416075 0.80 PDE10A (0.52) MAPTGBA1PDE10AGPR119
SCHEMBL28647996 0.80 PARP1 (0.47) MTHFD2MAPTPDE10APARP1TNKS2
SCHEMBL26602815 0.78 MTHFD2 (0.43) MTHFD2MAPTKITPDE10APARP1
SCHEMBL2456754 0.77 SPR (0.46) MTHFD2MAPTNAMPTPARP1TNKS2
SCHEMBL415027 0.77 PDE10A (0.70) GBA1PDE10A
SCHEMBL25381827 0.76 PARP1 (0.44) MTHFD2MAPTPARP1TNKS2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467382-B1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
EP-2434885-B1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
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-8492392-B2 Alkoxy tetrahydro-pyridopyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-23 US disclosed
US-8492392-B2 Alkoxy tetrahydro-pyridopyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-23 US disclosed
EP-2467382-A1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-06-27 EP disclosed
US-20120136012-A1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP (US) 2012-05-31 US disclosed
US-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-15 US disclosed
US-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-15 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
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 (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-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS PDE12, PDE4A, PDE5A MTHFD2 214/4885MAPT 1064/4885KIT 4487/4885
US-20120136012-A1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS PDE12, PDE4A, PDE10A MTHFD2 152/4885MAPT 1101/4885KIT 4529/4885

“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.