SCHEMBL4903374

SCHEMBL4903374

CCC1CO1.COc1nc2c(N)ncnc2n1CC1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.38
PIK3CD O00329 3/20 0.38
EGFR P00533 2/20 0.38
HCK P08631 2/20 0.38
SRC P12931 2/20 0.38
KDR P35968 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CG P48736 2/20 0.38
EPHB4 P54760 2/20 0.38
PRKDC P78527 2/20 0.38
PI4KB Q9UBF8 2/20 0.38
ADORA2A P29274 5/20 0.36
ADORA2B P29275 5/20 0.36
ADORA1 P30542 5/20 0.36
ADORA3 P0DMS8 3/20 0.36
TLR7 Q9NYK1 1/20 0.35
FBP1 P09467 1/20 0.35
PIK3R2 O00459 1/20 0.35

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
SCHEMBL1841828 0.77 TLR7 (0.55) TLR7
SCHEMBL23621027 0.75 ADORA2A (0.47) ABL1ADORA2AADORA2BADORA1ADORA3
SCHEMBL23621142 0.73 ADORA2A (0.49) ABL1ADORA2AADORA2BADORA1ADORA3
SCHEMBL23620924 0.71 TLR7 (0.44) PIK3CAADORA2AADORA2BADORA1ADORA3
SCHEMBL1840894 0.68 TLR7 (0.60) TLR7
SCHEMBL1841207 0.67 TLR7 (0.64) TLR7
SCHEMBL3124371 0.67 HSP90AA1 (0.71) HSP90AA1HSP90AB1ERBB2
SCHEMBL1843309 0.67 TLR7 (0.68) TLR7
SCHEMBL1841044 0.66 TLR7 (0.67) TLR7
SCHEMBL3116727 0.65 ERBB2 (0.65) HSP90AA1HSP90AB1ERBB2

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-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 ABL1 1547/4885PIK3CD 4127/4885EGFR 1839/4885

“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.