SCHEMBL559333

SCHEMBL559333

Nc1nc(C#CCC2CCN(C(=O)OCCOCc3ccccc3)CC2)nc2c1ncn2C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.49
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ CTSL P07711 1/20 0.39
▸ GRIN2B Q13224 3/20 0.38
▸ CSF1R P07333 1/20 0.37
▸ SMYD2 Q9NRG4 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
SCHEMBL559655 0.86 ADORA2A (0.44) ADORA2AADORA3ADORA1GRIN2B
SCHEMBL14393438 0.86 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL10456428 0.86 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL1244542 0.86 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL10458535 0.86 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL560123 0.85 ADORA2A (0.53) ADORA2AADORA3ADORA1CTSLSMYD2
SCHEMBL13612127 0.83 ADORA2A (0.76) ADORA2AADORA3ADORA1
SCHEMBL10455994 0.83 ADORA2A (0.76) ADORA2AADORA3ADORA1
SCHEMBL559613 0.82 GRIN2B (0.42) ADORA2AGRIN2BCSF1R
SCHEMBL4565422 0.77 GRIN2B (0.37) ADORA2AGRIN2B

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.

Send feedback