SCHEMBL2389422

SCHEMBL2389422

CCOC(=O)c1cn(C)nc1Nc1cncnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAP4K4 O95819 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
XBP1 P17861 1/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
JMJD6 Q6NYC1 1/20 0.39
PDE10A Q9Y233 2/20 0.39
MAP2K1 Q02750 1/20 0.39
SYK P43405 1/20 0.39
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39

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
SCHEMBL2382718 0.82 PDE10A (0.42) PDE10ANAMPT
SCHEMBL12429213 0.79 ALDH1A1 (0.48) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL30323353 0.78 MAPT (0.49) NPSR1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL15777482 0.76 ADORA2A (0.43) SMN1; SMN2MEN1KMT2AKDM4EHSD17B10
SCHEMBL31518608 0.74 HPGD (0.48) KMT2AKDM4EHSD17B10ALDH1A1RAB9A
SCHEMBL7271365 0.73 ALDH1A1 (0.52) NPSR1SMN1; SMN2KMT2AKDM4EHSD17B10
SCHEMBL9296106 0.73 KDM4E (0.47) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL15768028 0.73 PDE10A (0.39) PDE10A
SCHEMBL10518054 0.73 HSD17B10 (0.40) NPSR1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL19018352 0.73 NPC1 (0.46) NPSR1SMN1; SMN2KDM4EHSD17B10ALDH1A1

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 NPSR1 1343/4885SMN1; SMN2 1594/4885MEN1 3260/4885

“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.