SCHEMBL5386609

SCHEMBL5386609

OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(N[C@@H]4CCNC4)ncnc32)O1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.54
▸ TSHR P16473 3/20 0.54
▸ PMP22 Q01453 2/20 0.54
▸ ADORA2A P29274 2/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ ADORA2B P29275 1/20 0.54
▸ ADORA1 P30542 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ THPO P40225 1/20 0.53

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
SCHEMBL14593728 0.86 TSHR (0.60) SLC29A1TSHRPMP22ADORA2AADORA3
SCHEMBL5391740 0.86 TSHR (0.60) SLC29A1TSHRPMP22ADORA2AADORA3
SCHEMBL5394909 0.86 ADORA3 (0.56) ADORA2AADORA3ADORA2BADORA1RXFP1
SCHEMBL5392511 0.86 ADORA3 (0.56) ADORA2AADORA3ADORA2BADORA1RXFP1
SCHEMBL5396174 0.84 ADORA1 (0.72) SLC29A1ADORA2AADORA3ADORA2BADORA1
SCHEMBL6430122 0.82 SLC29A1 (0.56) SLC29A1PMP22ADORA2AADORA3ADORA2B
SCHEMBL6447277 0.82 CCNA2 (0.50) SLC29A1TSHRPMP22ADORA2AADORA3
SCHEMBL5399226 0.82 ADORA1 (0.72) SLC29A1TSHRPMP22ADORA2AADORA3
SCHEMBL5386573 0.82 ADORA3 (0.69) SLC29A1TSHRPMP22ADORA2AADORA3
SCHEMBL5391367 0.82 ADORA3 (0.69) SLC29A1TSHRPMP22ADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163928-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2007-01-16 — — US disclosed
US-20040198691-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-10-07 — — 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-20040198691-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 SLC29A1 410/4885TSHR 117/4885PMP22 3879/4885

“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.

Send feedback