SCHEMBL19124351

SCHEMBL19124351

c1cn2c([C@@H]3CCCS3)nnc2c(NCCN2CCOCC2)n1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 15/20 0.65
▸ ADORA2A P29274 3/20 0.43
▸ FLT3 P36888 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL19125220 0.91 ADORA3 (0.65) ADORA3ADORA2A
SCHEMBL19124229 0.79 ADORA3 (1.00) ADORA3ADORA2A
SCHEMBL19124156 0.78 ADORA3 (0.69) ADORA3ADORA2A
SCHEMBL19124330 0.78 ADORA3 (0.66) ADORA3ADORA2A
SCHEMBL19124400 0.76 ADORA3 (0.62) ADORA3ADORA2A
SCHEMBL19124986 0.74 ADORA3 (0.51) ADORA3ADORA2A
SCHEMBL19124437 0.74 ADORA2A (0.62) ADORA3ADORA2A
SCHEMBL19124375 0.74 ADORA3 (0.67) ADORA3ADORA2A
SCHEMBL19125427 0.74 ADORA3 (0.68) ADORA3ADORA2A
SCHEMBL19124207 0.74 ADORA3 (0.68) ADORA3ADORA2A

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-20170204101-A1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF HANDOK INC. (KR) 2017-07-20 — — 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-20170204101-A1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885FLT3 3731/4885

“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.

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