SCHEMBL8639797

SCHEMBL8639797

CC(=O)Cn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.72
MAPK1 P28482 4/20 0.53
IGF1R P08069 1/20 0.49
HTT P42858 2/20 0.47
EGFR P00533 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL8807444 0.89 ADORA1 (0.67) ADORA1MAPK1IGF1RHTTEGFR
SCHEMBL19829272 0.87 ADORA1 (0.86) ADORA1MAPK1IGF1RHTTEGFR
SCHEMBL7488213 0.87 ADORA1 (0.66) ADORA1MAPK1IGF1RHTTKDM4E
SCHEMBL8807266 0.85 ADORA1 (0.88) ADORA1MAPK1IGF1RHTTKDM4E
SCHEMBL8810012 0.85 ADORA1 (0.73) ADORA1MAPK1IGF1RHTTEGFR
SCHEMBL7299166 0.85 ADORA1 (0.77) ADORA1MAPK1IGF1RHTTEGFR
SCHEMBL19829271 0.84 ADORA1 (0.66) ADORA1MAPK1IGF1RHTTEGFR
SCHEMBL7304113 0.84 ADORA1 (0.68) ADORA1MAPK1IGF1RPTGDR2
SCHEMBL2641189 0.84 ADORA1 (1.00) ADORA1MAPK1IGF1RHTTKDM4E
SCHEMBL8807841 0.84 ADORA1 (0.77) ADORA1MAPK1IGF1RHTTKDM4E

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
JP-10182643-A None JP disclosed
US-20180030453-A1 METHOD FOR IMPROVING LEARNING ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2018-02-01 US disclosed
JP-H10182643-A PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTIC AGENT FUJISAWA PHARMACEUT CO LTD 1998-07-07 JP 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-20180030453-A1 METHOD FOR IMPROVING LEARNING NT5E, ADORA1, ENTPD5 ADORA1 2/4885MAPK1 3104/4885IGF1R 763/4885

“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.