SCHEMBL559756

SCHEMBL559756

COc1ccc(OC(=O)N2CCC(CC#Cc3nc(N)c4nc[nH]c4n3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.46
▸ NPY2R P49146 1/20 0.38
▸ GRIN2B Q13224 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ BACE1 P56817 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ LIPE Q05469 1/20 0.34
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33

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
SCHEMBL559478 0.93 ADORA2A (0.44) ADORA2AGRIN2BADORA3ADORA1PIK3CD
SCHEMBL559125 0.93 ADORA2A (0.44) ADORA2AADORA3ADORA1LIPECYP4F2
SCHEMBL560133 0.92 ADORA2A (0.43) ADORA2AADORA3ADORA1LIPE
SCHEMBL559641 0.92 ADORA2A (0.42) ADORA2AGRIN2BADORA3ADORA1LIPE
SCHEMBL559730 0.91 ADORA2A (0.43) ADORA2ALIPE
SCHEMBL560397 0.89 CYP1A2 (0.43) ADORA2A
SCHEMBL560112 0.88 ADORA2A (0.44) ADORA2AADORA3ADORA1
SCHEMBL559355 0.83 ADORA2A (0.41) ADORA2AADORA3ADORA1
SCHEMBL559164 0.83 TRPV1 (0.41) ADORA2APIK3CDLIPE
SCHEMBL559346 0.80 ADORA2A (0.49) ADORA2ANPY2RADORA3ADORA1BACE1

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-20120309774-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2012-12-06 — — US 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
US-20090118309-A1 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC 2009-05-07 — — 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 (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 1/4885NPY2R 97/4885GRIN2B 394/4885
US-20090118309-A1 Selective antagonists of A2A adenosine receptors ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885NPY2R 97/4885GRIN2B 394/4885
US-20120035192-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885NPY2R 97/4885GRIN2B 394/4885

“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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