Sugi Predict

Sugi Predict / Compounds / SCHEMBL5508068

SCHEMBL5508068

SCHEMBL5508068

C#CC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)C(O)[C@@H]1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.78
▸ TSHR P16473 3/20 0.78
▸ ADORA2A P29274 3/20 0.78
▸ PMP22 Q01453 2/20 0.78
▸ ADORA2B P29275 2/20 0.78
▸ ADORA1 P30542 2/20 0.78
▸ GAA P10253 1/20 0.78
▸ HTT P42858 1/20 0.78
▸ SIGMAR1 Q99720 1/20 0.78
▸ SLC29A1 Q99808 1/20 0.78
▸ RXFP1 Q9HBX9 1/20 0.78
▸ MEN1 O00255 1/20 0.78
▸ KMT2A Q03164 1/20 0.78
▸ TP53 P04637 1/20 0.78
▸ NFKB1 P19838 1/20 0.78
▸ HIF1A Q16665 1/20 0.78
▸ SMN1; SMN2 Q16637 1/20 0.77
▸ TDP1 Q9NUW8 1/20 0.77
▸ CYP2C19 P33261 1/20 0.77
▸ THPO P40225 1/20 0.77

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
SCHEMBL6385390 1.00 ADORA3 (0.78) ADORA3TSHRADORA2APMP22ADORA2B
SCHEMBL6685504 0.92 ADORA3 (0.78) ADORA3TSHRADORA2APMP22ADORA2B
N6-Cyclopentyladenosine SCHEMBL472508 0.88 ADORA3 (1.00) ADORA3TSHRADORA2APMP22ADORA2B
N6-Cyclopentyladenosine SCHEMBL12200134 0.88 ADORA3 (1.00) ADORA3TSHRADORA2APMP22ADORA2B
N6-Cyclopentyladenosine SCHEMBL7202975 0.88 ADORA3 (1.00) ADORA3TSHRADORA2APMP22ADORA2B
N6-Cyclopentyladenosine SCHEMBL20226050 0.88 ADORA3 (1.00) ADORA3TSHRADORA2APMP22ADORA2B
N6-Cyclopentyladenosine SCHEMBL18908968 0.88 ADORA3 (1.00) ADORA3TSHRADORA2APMP22ADORA2B
N6-Cyclopentyladenosine SCHEMBL472621 0.88 ADORA3 (1.00) ADORA3TSHRADORA2APMP22ADORA2B
N6-Cyclopentyladenosine SCHEMBL120481 0.88 ADORA3 (1.00) ADORA3TSHRADORA2APMP22ADORA2B
N6-Cyclopentyladenosine SCHEMBL381792 0.88 ADORA3 (1.00) ADORA3TSHRADORA2APMP22ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537133-B1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS INC (US) 2007-07-25 — — EP disclosed
US-20060135467-A1 Partial and full agonists of A1 adenosine receptors ZABLOCKI JEFF 2006-06-22 — — US disclosed
US-7022681-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2006-04-04 — — US disclosed
US-20040043960-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-03-04 — — 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 (2 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-20060135467-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA3 3/4885TSHR 184/4885ADORA2A 2/4885
US-20040043960-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA3 3/4885TSHR 169/4885ADORA2A 2/4885

“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.