SCHEMBL2385906

SCHEMBL2385906

CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.74
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CRHBP P24387 1/20 0.42
CYP2C19 P33261 1/20 0.42
CRHR2 Q13324 1/20 0.42
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL2374049 0.91 PDE10A (0.62) PDE10AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL2386251 0.90 PDE10A (0.63) PDE10AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL2373381 0.90 PDE10A (0.61) PDE10AALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL2397443 0.88 PDE10A (0.77) PDE10A
SCHEMBL6915916 0.87 PDE10A (0.76) PDE10A
SCHEMBL12316438 0.86 PDE10A (0.74) PDE10A
SCHEMBL2397976 0.86 PDE10A (0.56) PDE10AALDH1A1HPGDKDM4ERAB9A
SCHEMBL12266633 0.86 PDE10A (0.74) PDE10A
SCHEMBL12266628 0.86 PDE10A (0.85) PDE10A
SCHEMBL12266639 0.85 PDE10A (0.71) 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 5 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 disclosed
US-8410117-B2 Imidazopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
EP-2552918-A1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-02-06 EP disclosed
US-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2011-09-29 US disclosed
WO-2011117264-A1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 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-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES PDE5A, PDE3B, PDE3A PDE10A 10/4885ALDH1A1 105/4885HPGD 1282/4885

“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.