SCHEMBL23709255

SCHEMBL23709255

CC(C)C(CN)CCNc1ncc(I)c2nccn12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
TLR7 Q9NYK1 1/20 0.32
TTK P33981 1/20 0.31
ZAP70 P43403 1/20 0.31
SYK P43405 1/20 0.31
KARS1 Q15046 1/20 0.31
F13A1 P00488 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
SCHEMBL22447092 0.78 EED (0.38) EEDTLR7TTKZAP70SYK
SCHEMBL23709296 0.75 EED (0.40) EEDTLR7TTK
SCHEMBL22692916 0.68 EED (0.32) EEDF13A1
SCHEMBL23709245 0.65 STK17B (0.44) ADORA3TTK
SCHEMBL21986319 0.62 CYP2E1 (0.34)
SCHEMBL22521326 0.62 ADORA2A (0.39) TLR7
SCHEMBL1685158 0.59 CCNE1 (0.33)
SCHEMBL21287178 0.59 CCNE1 (0.34)
SCHEMBL21287497 0.59 AXL (0.32)
SCHEMBL21287307 0.55 PTPN11 (0.40) ADORA3

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-20210238196-A1 SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2021-08-05 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-20210238196-A1 SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF PTPN1, PTPN5, PTPN2 EED 2215/4885ADORA3 4097/4885TLR7 840/4885

“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.