SCHEMBL19829272

SCHEMBL19829272

CC(=O)CCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.86
MAPK1 P28482 4/20 0.48
IGF1R P08069 1/20 0.46
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.43
EGFR P00533 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 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
SCHEMBL2641189 0.93 ADORA1 (1.00) ADORA1MAPK1IGF1RHSD17B10KDM4E
SCHEMBL8807647 0.90 ADORA1 (0.94) ADORA1MAPK1IGF1RHSD17B10KDM4E
SCHEMBL8808149 0.88 ADORA1 (0.77) ADORA1MAPK1IGF1RHSD17B10KDM4E
SCHEMBL8807266 0.88 ADORA1 (0.88) ADORA1MAPK1IGF1RHSD17B10KDM4E
SCHEMBL8808692 0.88 ADORA1 (0.80) ADORA1MAPK1IGF1RHSD17B10KDM4E
SCHEMBL7294123 0.87 ADORA1 (0.79) ADORA1MAPK1IGF1RKDM4EEGFR
SCHEMBL7292843 0.87 ADORA1 (0.72) ADORA1MAPK1IGF1RHSD17B10KDM4E
SCHEMBL8639797 0.87 ADORA1 (0.72) ADORA1MAPK1IGF1RHSD17B10KDM4E
SCHEMBL8807841 0.86 ADORA1 (0.77) ADORA1MAPK1IGF1RHSD17B10KDM4E
SCHEMBL7299166 0.86 ADORA1 (0.77) ADORA1MAPK1IGF1RKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030453-A1 METHOD FOR IMPROVING LEARNING ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2018-02-01 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-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.