SCHEMBL4767752

SCHEMBL4767752

COc1ccc(Cn2c(=O)n(C(F)c3ccccc3)c(=O)c3[nH]c(-c4cnn(-c5ccccc5)c4)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.40
ADORA2B P29275 4/20 0.40
PDE1A P54750 3/20 0.40
PDE1B Q01064 3/20 0.40
PDE1C Q14123 3/20 0.40
ADORA1 P30542 3/20 0.39
ERCC5 P28715 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
PIK3CD O00329 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MEN1 O00255 2/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL4769024 0.91 ADORA2B (0.43) ADORA2AADORA2BPDE1APDE1BPDE1C
SCHEMBL4763685 0.89 ADORA2A (0.50) ADORA2AADORA2BADORA1ERCC5ALDH1A1
SCHEMBL4767590 0.86 ADORA2B (0.43) ADORA2AADORA2BPDE1APDE1BPDE1C
SCHEMBL4767749 0.84 ADORA2A (0.44) ADORA2AADORA2BADORA1ALDH1A1MAPT
SCHEMBL4769233 0.84 ADORA2B (0.46) ADORA2AADORA2BPDE1APDE1BPDE1C
SCHEMBL4768991 0.83 ADORA2A (0.44) ADORA2AADORA2BADORA1ERCC5ALDH1A1
SCHEMBL4769151 0.82 ADORA2A (0.41) ADORA2AADORA2BADORA1ALDH1A1MAPT
SCHEMBL4867858 0.79 PDE1A (0.39) PDE1APDE1BPDE1CERCC5ALDH1A1
SCHEMBL4767640 0.78 ADORA2B (0.46) ADORA2AADORA2BADORA1GRM4ADORA3
SCHEMBL4769722 0.77 ADORA2B (0.48) ADORA2AADORA2BADORA1PDE4APDE4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 ADORA2A 2/4885ADORA2B 1/4885PDE1A 912/4885

“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.