SCHEMBL2398462

SCHEMBL2398462

Cc1nc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)cs1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.65
SLC12A2 P55011 1/20 0.39
SLC12A5 Q9H2X9 1/20 0.39
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2384493 0.88 PDE10A (0.71) PDE10AALDH1A1
SCHEMBL2387031 0.88 PDE10A (0.64) PDE10AALDH1A1HTT
SCHEMBL2387936 0.88 PDE10A (0.64) PDE10AALDH1A1HTT
SCHEMBL2397245 0.88 PDE10A (0.66) PDE10AALDH1A1HTT
SCHEMBL2396279 0.88 PDE10A (0.66) PDE10AALDH1A1HTT
SCHEMBL2385233 0.87 PDE10A (0.64) PDE10AALDH1A1HTT
SCHEMBL2384256 0.87 PDE10A (0.64) PDE10AKLKB1ALDH1A1HTT
SCHEMBL2388088 0.87 PDE10A (0.65) PDE10AALDH1A1
SCHEMBL6915916 0.86 PDE10A (0.76) PDE10A
SCHEMBL2396915 0.86 PDE10A (0.64) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552918-B1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-11 EP claimed
US-8410117-B2 Imidazopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US claimed
US-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2011-09-29 US claimed
EP-2552918-B1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-11 EP disclosed
US-8410117-B2 Imidazopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-8410117-B2 Imidazopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2011-09-29 US disclosed
US-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2011-09-29 US 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-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES PDE5A, PDE3B, PDE3A PDE10A 10/4885SLC12A2 2383/4885SLC12A5 1604/4885

“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.