SCHEMBL4528702

SCHEMBL4528702

COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NC(C)c4ccc(F)cc4)nc32)c1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.84
ADORA1 P30542 19/20 0.84
GNRHR P30968 1/20 0.55

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
SCHEMBL4528699 1.00 ADORA2A (0.84) ADORA2AADORA1GNRHR
SCHEMBL4530123 1.00 ADORA2A (0.84) ADORA2AADORA1GNRHR
SCHEMBL4526348 0.94 ADORA2A (0.86) ADORA2AADORA1GNRHR
SCHEMBL4525341 0.94 ADORA2A (0.86) ADORA2AADORA1GNRHR
SCHEMBL4525346 0.94 ADORA2A (0.86) ADORA2AADORA1GNRHR
SCHEMBL4522358 0.92 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL4521119 0.87 ADORA2A (0.81) ADORA2AADORA1
SCHEMBL4506919 0.87 ADORA2A (0.78) ADORA2AADORA1GNRHR
SCHEMBL14569113 0.86 ADORA2A (0.89) ADORA2AADORA1
SCHEMBL4516918 0.85 ADORA2A (1.00) 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 1 patent. 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

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 9/4885GNRHR 2554/4885

“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.