SCHEMBL4891718

SCHEMBL4891718

CC(c1ccccc1)n1c(-c2cnn(Cc3ccccc3C(F)(F)F)c2)c([N+](=O)[O-])c(=O)n(C2CCC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
TACR1 P25103 2/20 0.35
C5AR1 P21730 7/20 0.34
TEC P42680 1/20 0.33
TXK P42681 1/20 0.33
BMX P51813 1/20 0.33
BTK Q06187 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DPP4 P27487 2/20 0.33
MAPK1 P28482 1/20 0.33
GNRHR P30968 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL4867808 0.90 ADORA2B (0.39) ADORA2BADORA1ADORA2ATECTXK
SCHEMBL4890173 0.88 ADORA2A (0.42) ADORA2BADORA1ADORA2AC5AR1TEC
SCHEMBL4917939 0.88 ADORA2B (0.46) ADORA2BADORA1ADORA2AADORA3ALDH1A1
SCHEMBL4766003 0.86 TACR1 (0.33) ADORA2BADORA1ADORA2ATACR1C5AR1
SCHEMBL4766009 0.86 TACR1 (0.33) ADORA2BADORA1ADORA2ATACR1C5AR1
SCHEMBL4891723 0.84 C5AR1 (0.42) ADORA2BADORA1ADORA2AC5AR1ADORA3
SCHEMBL4771591 0.82 ADORA2B (0.45) ADORA2BADORA1ADORA2ATACR1C5AR1
SCHEMBL4867651 0.82 CREBBP (0.37)
SCHEMBL4896986 0.82 ADORA2B (0.43) ADORA2BADORA1ADORA2AADORA3ALDH1A1
SCHEMBL4864147 0.80 HSP90AA1 (0.41) ADORA2BADORA1ADORA2AALDH1A1

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
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
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA1 4/4885ADORA2A 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.