SCHEMBL559164

SCHEMBL559164

Nc1nc(C#CCC2CCN(C(=O)Oc3cccc(C(F)(F)F)c3)CC2)nc2[nH]cnc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ ADORA2A P29274 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ LIPE Q05469 3/20 0.37
▸ BTK Q06187 2/20 0.36
▸ MGLL Q99685 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ADORA2B P29275 1/20 0.34

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
SCHEMBL559730 0.88 ADORA2A (0.43) ADORA2ALIPEMGLLNPC1RAB9A
SCHEMBL559641 0.85 ADORA2A (0.42) ADORA2ALIPEBTKMEN1NPC1
SCHEMBL560133 0.84 ADORA2A (0.43) TRPV1TRPA1ADORA2ALIPENPC1
SCHEMBL559478 0.83 ADORA2A (0.44) ADORA2APIK3CDLIPEBTKNPC1
SCHEMBL559756 0.83 ADORA2A (0.46) ADORA2APIK3CDLIPE
SCHEMBL559209 0.82 ADORA2A (0.48) TRPV1TRPA1ADORA2APIK3CDLIPE
SCHEMBL559741 0.82 ADORA2A (0.43) TRPV1TRPA1ADORA2APIK3CDLIPE
SCHEMBL559125 0.81 ADORA2A (0.44) ADORA2ALIPEMEN1NPC1RAB9A
SCHEMBL560397 0.81 CYP1A2 (0.43) ADORA2AMGLL
SCHEMBL560112 0.80 ADORA2A (0.44) ADORA2AMEN1KMT2A

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 TRPV1 341/4885TRPA1 316/4885ADORA2A 1/4885
US-20090118309-A1 Selective antagonists of A2A adenosine receptors ADORA2A, ADORA3, ADORA2B TRPV1 341/4885TRPA1 316/4885ADORA2A 1/4885
US-20120035192-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA3, ADORA2B TRPV1 341/4885TRPA1 316/4885ADORA2A 1/4885

“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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