SCHEMBL14944846

SCHEMBL14944846

C[C@H]1CCC[C@](O)(C#Cc2nc(N)c3ncn(C4OC(C(=O)NC5CC5)C(O)C4O)c3n2)C1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.59
▸ ADORA3 P0DMS8 5/20 0.56
▸ ADORA2B P29275 5/20 0.56
▸ ADORA1 P30542 5/20 0.56
▸ HSP90B1 P14625 2/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ HRH1 P35367 1/20 0.55
▸ TMEM97 Q5BJF2 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ HSP90AA1 P07900 1/20 0.54

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
SCHEMBL1950083 1.00 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12359680 1.00 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12359679 1.00 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12547695 1.00 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12359633 1.00 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL13020463 1.00 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12359683 0.91 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12547506 0.91 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12359573 0.91 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1HSP90B1
SCHEMBL12359684 0.91 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1

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-20130123208-A1 METHOD OF TREATING MULTIPLE SCLEROSIS WITH ADENOSINE RECEPTOR AGONISTS The Regents of the University of Colorado, a body corporation (US) 2013-05-16 — — US disclosed
US-20130123208-A1 METHOD OF TREATING MULTIPLE SCLEROSIS WITH ADENOSINE RECEPTOR AGONISTS The Regents of the University of Colorado, a body corporation (US) 2013-05-16 — — 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-20130123208-A1 METHOD OF TREATING MULTIPLE SCLEROSIS WITH ADENOSINE RECEPTOR AGONISTS ADORA3, ADORA2A, ADORA2B ADORA2A 2/4885ADORA3 1/4885ADORA2B 3/4885

“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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