SCHEMBL4520917

SCHEMBL4520917

COc1cccc(-n2c(=O)n(Cc3ccccc3)c3cnc(NC4CC4)nc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 1.00
ADORA1 P30542 17/20 1.00

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
SCHEMBL13966250 0.96 ADORA2A (0.92) ADORA2AADORA1
SCHEMBL4531259 0.95 ADORA2A (0.91) ADORA2AADORA1
SCHEMBL4522764 0.95 ADORA2A (0.90) ADORA2AADORA1
SCHEMBL4522722 0.93 ADORA2A (0.86) ADORA2AADORA1
SCHEMBL4514581 0.92 ADORA2A (0.85) ADORA2AADORA1
SCHEMBL4519764 0.91 ADORA2A (0.84) ADORA2AADORA1
SCHEMBL13966151 0.91 ADORA2A (0.84) ADORA2AADORA1
SCHEMBL13966138 0.91 ADORA2A (0.84) ADORA2AADORA1
SCHEMBL4523284 0.91 ADORA2A (0.84) ADORA2AADORA1
SCHEMBL4505905 0.91 ADORA2A (0.83) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023723-A1 Purinone derivatives for treating neurodegenerative diseases PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2009-01-22 US disclosed
US-20090023723-A1 Purinone derivatives for treating neurodegenerative diseases PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2009-01-22 US disclosed
US-20090023723-A1 Purinone derivatives for treating neurodegenerative diseases PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2009-01-22 US disclosed
WO-2007035873-A1 PURINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-03-29 WO disclosed
WO-2007035873-A1 PURINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-03-29 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-20090023723-A1 Purinone derivatives for treating neurodegenerative diseases ADORA2A, P2RX6, P2RX5 ADORA2A 1/4885ADORA1 9/4885

“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.