SCHEMBL3478701

SCHEMBL3478701

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC4(O)CCC(CC)CC4)nc32)C(O)C1O

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.70
▸ ADORA2B P29275 4/20 0.70
▸ ADORA3 P0DMS8 4/20 0.70
▸ ADORA1 P30542 4/20 0.70
▸ ALDH1A1 P00352 1/20 0.67
▸ GLA P06280 1/20 0.67
▸ PMP22 Q01453 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ HIF1A Q16665 1/20 0.67

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
SCHEMBL13296312 1.00 ADORA2A (0.70) ADORA2AADORA2BADORA3ADORA1ALDH1A1
SCHEMBL2112451 1.00 ADORA2A (0.70) ADORA2AADORA2BADORA3ADORA1ALDH1A1
SCHEMBL3423490 1.00 ADORA2A (0.70) ADORA2AADORA2BADORA3ADORA1ALDH1A1
SCHEMBL2113766 0.92 ADORA2A (0.81) ADORA2AADORA2BADORA3ADORA1ALDH1A1
SCHEMBL3428044 0.92 ADORA2A (0.81) ADORA2AADORA2BADORA3ADORA1ALDH1A1
SCHEMBL14148591 0.92 ADORA2A (0.81) ADORA2AADORA2BADORA3ADORA1ALDH1A1
SCHEMBL13296309 0.92 ADORA2A (0.81) ADORA2AADORA2BADORA3ADORA1ALDH1A1
SCHEMBL13777463 0.92 ADORA2A (0.69) ADORA2AADORA2BADORA3ADORA1ALDH1A1
SCHEMBL12359685 0.92 ADORA2A (0.64) ADORA2AADORA2BADORA3ADORA1
SCHEMBL13314552 0.92 ADORA2A (0.69) ADORA2AADORA2BADORA3ADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158604-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-04-17 — — US disclosed
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-17 — — US disclosed
US-7737127-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-15 — — US disclosed
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 — — US disclosed
US-7396825-B2 Agonists of A2A adenosine receptors for treatment of diabetic nephropathy UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-07-08 — — 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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B ADORA2A 1/4885ADORA2B 6/4885ADORA3 7/4885
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA2B 4/4885ADORA3 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.

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