SCHEMBL417086

SCHEMBL417086

CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1cnn(C)c1)CC2

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.78
PDE2A O00408 1/20 0.51
SLC28A2 O43868 1/20 0.51
PDE5A O76074 1/20 0.51
PDE6A P16499 1/20 0.51
PDE4A P27815 1/20 0.51
PDE7A Q13946 1/20 0.51
PDE3A Q14432 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
PDE11A Q9HCR9 1/20 0.51

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
SCHEMBL416122 0.88 PDE10A (1.00) PDE10A
SCHEMBL415776 0.87 PDE10A (1.00) PDE10APDE2ASLC28A2PDE5APDE6A
SCHEMBL415782 0.87 PDE10A (1.00) PDE10APDE2ASLC28A2PDE5APDE6A
SCHEMBL417276 0.85 PDE10A (0.75) PDE10APDE2ASLC28A2PDE5APDE6A
SCHEMBL415083 0.83 PDE10A (0.70) PDE10APDE2ASLC28A2PDE5APDE6A
SCHEMBL415771 0.79 PDE10A (1.00) PDE10A
SCHEMBL416203 0.74 PDE10A (0.69) PDE10APDE2ASLC28A2PDE5APDE6A
SCHEMBL417038 0.73 PDE10A (0.56) PDE10A
SCHEMBL415202 0.72 PDE10A (1.00) PDE10APDE2ASLC28A2PDE5APDE6A
SCHEMBL415244 0.72 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
US-8492392-B2 Alkoxy tetrahydro-pyridopyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-23 US claimed
US-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-15 US claimed
WO-2010138430-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 WO claimed
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-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 (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 6/4885PDE2A 9/4885SLC28A2 2161/4885

“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.