SCHEMBL4900650

SCHEMBL4900650

O=c1c([N+](=O)[O-])c(-c2cnn(Cc3ccccc3C(F)(F)F)c2)n(Cc2ccncc2)c(=O)n1Cc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.47
ADORA1 P30542 7/20 0.47
ADORA2A P29274 5/20 0.47
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SCD5 Q86SK9 2/20 0.36
ADORA3 P0DMS8 2/20 0.35
HSPD1 P10809 1/20 0.35
HSPE1 P61604 1/20 0.35
KDR P35968 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PDE4A P27815 1/20 0.34
NPBWR1 P48145 1/20 0.34

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
SCHEMBL4897242 0.93 ADORA2B (0.42) ADORA2BADORA1ADORA2ATDP1ALDH1A1
SCHEMBL4866634 0.88 ADORA2B (0.45) ADORA2BADORA1ADORA2AALDH1A1SCD5
SCHEMBL4904896 0.88 NPBWR1 (0.47) ADORA2BADORA1ADORA2ATDP1NPBWR1
SCHEMBL4895305 0.88 ADORA2A (0.40) ADORA2BADORA1ADORA2A
SCHEMBL4916169 0.88 ADORA2B (0.48) ADORA2BADORA1ADORA2ATDP1ALDH1A1
SCHEMBL4908302 0.87 ADORA2B (0.45) ADORA2BADORA1ADORA2ATDP1ALDH1A1
SCHEMBL4917944 0.87 ADORA2B (0.50) ADORA2BADORA1ADORA2ATDP1ALDH1A1
SCHEMBL4891672 0.86 ADORA2B (0.53) ADORA2BADORA1ADORA2ATDP1ALDH1A1
SCHEMBL4893609 0.85 ADORA2B (0.49) ADORA2BADORA1ADORA2ATDP1ALDH1A1
SCHEMBL4763420 0.85 ADORA2A (0.39) ADORA2BADORA1ADORA2ATDP1ALDH1A1

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 2 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
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 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.