SCHEMBL559478

SCHEMBL559478

Cc1ccc(OC(=O)N2CCC(CC#Cc3nc(N)c4nc[nH]c4n3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.44
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ GRIN2B Q13224 3/20 0.35
▸ BTK Q06187 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ LIPE Q05469 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ CHRNA7 P36544 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
SCHEMBL559756 0.93 ADORA2A (0.46) ADORA2AADORA3ADORA1PIK3CDGRIN2B
SCHEMBL560133 0.92 ADORA2A (0.43) ADORA2AADORA3ADORA1LIPENPC1
SCHEMBL559641 0.92 ADORA2A (0.42) ADORA2AADORA3ADORA1GRIN2BBTK
SCHEMBL559730 0.91 ADORA2A (0.43) ADORA2ALIPENPC1RAB9A
SCHEMBL559125 0.91 ADORA2A (0.44) ADORA2AADORA3ADORA1LIPENPC1
SCHEMBL560397 0.89 CYP1A2 (0.43) ADORA2ACYP1A2FAAH
SCHEMBL560112 0.85 ADORA2A (0.44) ADORA2ACYP2C9CYP2C19ADORA3ADORA1
SCHEMBL559355 0.83 ADORA2A (0.41) ADORA2ACYP1A2CYP2C9CYP2C19ADORA3
SCHEMBL559164 0.83 TRPV1 (0.41) ADORA2APIK3CDBTKLIPENPC1
SCHEMBL559647 0.80 ADORA2A (0.48) ADORA2ACYP1A2CYP2C9CYP2C19ADORA3

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 6 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
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 1/4885CYP1A2 497/4885CYP2C9 981/4885
US-20090118309-A1 Selective antagonists of A2A adenosine receptors ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885CYP1A2 497/4885CYP2C9 981/4885
US-20120035192-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885CYP1A2 497/4885CYP2C9 981/4885

“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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