SCHEMBL417157

SCHEMBL417157

Bc1nc2c(c(=O)[nH]1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
SPR P35270 4/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
F12 P00748 2/20 0.41
ESR2 Q92731 1/20 0.40
ADORA1 P30542 1/20 0.40
NR1H2 P55055 1/20 0.39
MTOR P42345 2/20 0.39
MTHFD2 P13995 1/20 0.39
PDE10A Q9Y233 1/20 0.39
C5AR1 P21730 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GRAMD1A Q96CP6 1/20 0.37

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
SCHEMBL2456754 0.86 SPR (0.46) MAPTSPRPARP1TNKS2PARP2
SCHEMBL13476774 0.85 MAPT (0.46) MAPTPARP1TNKS2PARP2F12
SCHEMBL21041448 0.84 MAPT (0.44) MAPTSPRPARP1TNKS2PARP2
SCHEMBL6220992 0.83 MAPT (0.43) MAPTSPRPARP1TNKS2PARP2
SCHEMBL31128509 0.83 PARP1 (0.44) MAPTSPRPARP1TNKS2PARP2
SCHEMBL9610905 0.79 MTHFD2 (0.53) MAPTSPRPARP1TNKS2PARP2
SCHEMBL13250475 0.77 PARP1 (0.51) MAPTSPRPARP1TNKS2PARP2
SCHEMBL2799009 0.77 MAPT (0.48) MAPTSPRPARP1TNKS2PARP2
SCHEMBL416000 0.77 ESR2 (0.43) MAPTPARP1TNKS2PARP2F12
SCHEMBL28647996 0.77 PARP1 (0.47) MAPTSPRPARP1TNKS2PARP2

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 11 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
US-8691827-B2 Amino tetrahydro-pyridopyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-8691827-B2 Amino tetrahydro-pyridopyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-04-08 US 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-20120136012-A1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP (US) 2012-05-31 US 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
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 MAPT 1064/4885SPR 468/4885PARP1 1008/4885
US-20120136012-A1 AMINO TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS PDE12, PDE4A, PDE10A MAPT 1101/4885SPR 315/4885PARP1 1364/4885

“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.