SCHEMBL7940958

SCHEMBL7940958

Cc1cnc(-c2ncco2)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.37
ADORA1 P30542 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
LTA4H P09960 1/20 0.33
CHRNA7 P36544 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32
BRD4 O60885 1/20 0.32
PDE10A Q9Y233 1/20 0.31
BACE1 P56817 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
ALOX5AP P20292 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL12248374 0.76 HPGDS (0.34) HPGDSLTA4H
SCHEMBL13114689 0.74 CCR1 (0.56) HPGDSADORA1TLR7CCNCCDK8
SCHEMBL12677958 0.73 CCNC (0.38) HPGDSADORA1TLR7CCNCCDK8
SCHEMBL10021907 0.72 CCR1 (0.41)
SCHEMBL28733962 0.72 HPGDS (0.34) HPGDSLTA4H
SCHEMBL982756 0.71 HPGDS (0.39) HPGDSCCNCCDK8LTA4H
SCHEMBL14181278 0.71 HPGDS (0.51) HPGDSADORA1TLR7CCNCCDK8
SCHEMBL20516869 0.71 HPGDS (0.33) HPGDSADORA1TLR7
SCHEMBL29907677 0.71 KDM4E (0.40) HPGDSLTA4HBACE1
SCHEMBL12248226 0.70 GLRA3 (0.45) PDE10ABACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
EP-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 EP disclosed
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 HPGDS 4349/4885ADORA1 1040/4885TLR7 3577/4885

“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.