SCHEMBL8074797

SCHEMBL8074797

CCN(CC)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 1.00
ADORA1 P30542 18/20 1.00
ADORA2B P29275 5/20 0.65
ADORA3 P0DMS8 4/20 0.65
HRH3 Q9Y5N1 4/20 0.65
DRD2 P14416 1/20 0.64
DRD3 P35462 1/20 0.64
MAPT P10636 1/20 0.54
CHRNA7 P36544 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL8072372 0.80 ADORA2A (0.73) ADORA2AADORA1ADORA2BADORA3HRH3
SCHEMBL1830502 0.77 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3HRH3
SCHEMBL11767865 0.75 MAPT (0.89) ADORA2AADORA1MAPTCHRNA7KMT2A
SCHEMBL1791615 0.74 MAPT (0.88) ADORA2AADORA1MAPTCHRNA7KMT2A
SCHEMBL11852663 0.74 MAPT (0.94) ADORA2AADORA1MAPTCHRNA7KMT2A
SCHEMBL5604767 0.74 MAPT (0.94) ADORA2AADORA1MAPTCHRNA7KMT2A
SCHEMBL8037347 0.74 ADORA2A (0.71) ADORA2AADORA1
Hydrochloric Acid SCHEMBL11835509 0.73 MAPT (0.91) ADORA2AADORA1MAPTCHRNA7KMT2A
Hydrochloric Acid SCHEMBL11836743 0.73 MAPT (0.91) ADORA2AADORA1MAPTCHRNA7KMT2A
SCHEMBL8073095 0.73 ADORA2A (0.69) ADORA2AADORA1

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
EP-2220053-B1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-11 EP disclosed
US-20090111804-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2a JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090111804-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2a JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
WO-2009055548-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-30 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-20090111804-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2a ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA1 4/4885ADORA2B 2/4885

“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.