SCHEMBL929758

SCHEMBL929758

CC(C)OCc1cccc(CN)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
KCNH2 Q12809 3/20 0.40
LMNA P02545 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NR2E1 Q9Y466 1/20 0.30
MCHR1 Q99705 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL14508065 0.90 KCNH2 (0.47) ADORA2AKCNH2LMNAHRH4NOS1
SCHEMBL14534054 0.83 KCNH2 (0.41) ADORA2AKCNH2LMNAGRIN1GRIN2B
SCHEMBL4051266 0.81 KCNH2 (0.40) ADORA2AKCNH2LMNANPSR1NR2E1
SCHEMBL4055024 0.81 ADORA2A (0.42) ADORA2AKCNH2LMNAHRH4GRIN2D
SCHEMBL13316241 0.79 CCR1 (0.40) ADORA2AKCNH2NOS2
SCHEMBL19837934 0.79 ADORA2A (0.43) ADORA2AKCNH2LMNAHRH4NOS1
SCHEMBL537491 0.79 KCNH2 (0.44) ADORA2AKCNH2LMNAHRH4NOS1
SCHEMBL31546856 0.78 ADORA2A (0.37) ADORA2AKCNH2IRAK4NR2E1
SCHEMBL16142916 0.78 ADORA2A (0.37) ADORA2AKCNH2IRAK4NR2E1
SCHEMBL17658979 0.78 ADORA2A (0.37) ADORA2AKCNH2GRIN1GRIN2BNR2E1

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-7875600-B2 Pyrimidine compounds as purine receptor antagonist VERNALIS (R&D) LIMITED (GB) 2011-01-25 US disclosed
US-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide VERNALIS (R & D ) LIMITED (GB) 2007-12-06 US disclosed
EP-1720553-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R&D) LTD (GB) 2006-11-15 EP disclosed
WO-2005079801-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R & D) LTD (GB) 2005-09-01 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 (1 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-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885KCNH2 645/4885LMNA 4155/4885

“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.