SCHEMBL558795

SCHEMBL558795

C#CCn1cnc2c(N)nc(C#CCC3CCN(C(=O)Oc4ccccc4F)CC3)nc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.45
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CASP3 P42574 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 1/20 0.32

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
SCHEMBL559740 0.92 ADORA2A (0.46) ADORA2AADORA3ADORA1CASP3
SCHEMBL560378 0.91 ADORA2A (0.48) ADORA2AADORA3ADORA1CASP3
SCHEMBL559329 0.89 ADORA2A (0.47) ADORA2AADORA3ADORA1
SCHEMBL559453 0.87 ADORA2A (0.45) ADORA2AADORA3ADORA1CASP3
SCHEMBL559245 0.85 ADORA2A (0.47) ADORA2AADORA3ADORA1CASP3
SCHEMBL4057288 0.85 ADORA2A (0.59) ADORA2AADORA3ADORA1
SCHEMBL559346 0.85 ADORA2A (0.49) ADORA2AADORA3ADORA1
SCHEMBL559647 0.85 ADORA2A (0.48) ADORA2AADORA3ADORA1
SCHEMBL559741 0.83 ADORA2A (0.43) ADORA2AADORA3ADORA1
SCHEMBL559079 0.83 ADORA2A (0.45) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516882-B Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS LLC 2012-08-29 — — CN claimed
US-20120035192-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2012-02-09 — — US claimed
US-7985754-B2 Selective antagonists of A2A adenosine receptors TROVIS PHARMACEUTICALS, LLC (US) 2011-07-26 — — US claimed
CN-101516882-A Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS LLC (US) 2009-08-26 — — CN claimed
US-20090118309-A1 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC 2009-05-07 — — US claimed
US-20120309774-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2012-12-06 — — US disclosed
CN-101516882-B Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS LLC 2012-08-29 — — CN disclosed
US-20120035192-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2012-02-09 — — US disclosed
US-7985754-B2 Selective antagonists of A2A adenosine receptors TROVIS PHARMACEUTICALS, LLC (US) 2011-07-26 — — US disclosed
CN-101516882-A Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS LLC (US) 2009-08-26 — — CN disclosed
US-20090118309-A1 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC 2009-05-07 — — US disclosed
EP-2041136-A2 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS PGXHealth, LLC (US) 2009-04-01 — — EP disclosed
WO-2008011007-A2 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS PGXHEALTH, LLC (US) 2008-01-24 — — WO 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 (3 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-20120309774-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA3 2/4885ADORA1 4/4885
US-20090118309-A1 Selective antagonists of A2A adenosine receptors ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA3 2/4885ADORA1 4/4885
US-20120035192-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA3 2/4885ADORA1 4/4885

“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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