SCHEMBL4507899

SCHEMBL4507899

COc1cccc(-n2c(=O)[nH]c3cnc(NCCc4ccccc4F)nc32)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.53
ADORA1 P30542 18/20 0.53
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL14569124 0.88 GSK3B (0.45) ADORA2AADORA1USP2ALDH1A1CYP1A2
SCHEMBL14569129 0.82 ADORA2A (0.44) ADORA2AADORA1USP2ALDH1A1CYP1A2
SCHEMBL4512221 0.82 ADORA2A (0.63) ADORA2AADORA1USP2ALDH1A1CYP1A2
SCHEMBL5332245 0.81 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL14569112 0.80 ADORA2A (0.54) ADORA2AADORA1USP2ALDH1A1CYP1A2
SCHEMBL4525961 0.80 ADORA2A (0.81) ADORA2AADORA1
SCHEMBL13966183 0.80 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL13966117 0.79 ADORA2A (0.66) ADORA2AADORA1
SCHEMBL4524130 0.78 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL5153092 0.78 ADORA2A (0.47) ADORA2AADORA1USP2ALDH1A1CYP1A2

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 9/4885USP2 3332/4885

“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.