SCHEMBL10146195

SCHEMBL10146195

CCNC(=O)[C@@H](O[C@H](C)n1cnc2c(N)nc(C#CCC3CCN(C(=O)OC(C)(C)C)CC3)nc21)C(C)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.45
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ ADORA2B P29275 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL3478727 0.94 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL3478693 0.93 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL10146715 0.92 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL3484708 0.89 ADORA2A (0.35) ADORA2AADORA2B
SCHEMBL3478712 0.88 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL13777745 0.87 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL14215281 0.86 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL3478707 0.85 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL3478715 0.85 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL12374999 0.85 ADORA2A (0.59) ADORA2AADORA3ADORA1

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
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-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-7378400-B2 Method to reduce an inflammatory response from arthritis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-27 — — 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 1/4885ADORA3 7/4885ADORA1 10/4885
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA1 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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