SCHEMBL3788909

SCHEMBL3788909

Nc1cc(-c2cc([N+](=O)[O-])c(N)nc2-c2ncco2)c(F)cn1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
CYP2C19 P33261 1/20 0.32
EGFR P00533 2/20 0.31
ADORA1 P30542 2/20 0.31

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
SCHEMBL3788906 0.86 ADORA2A (0.43) ADORA2AADORA3ADORA2BCYP2C19EGFR
SCHEMBL3790046 0.81 DYRK1A (0.45) ADORA2AADORA2BADORA1
SCHEMBL3787423 0.80 AAK1 (0.38) ADORA2BEGFR
SCHEMBL996391 0.79 MAPT (0.40) ADORA2ACYP2C19EGFR
SCHEMBL3790043 0.77 ADORA2B (0.43) ADORA2AADORA2BCYP2C19ADORA1
SCHEMBL3791247 0.75 ALDH1A1 (0.36)
SCHEMBL14547056 0.73 ADORA2A (0.41) ADORA2AADORA3ADORA2BCYP2C19ADORA1
SCHEMBL994806 0.70 DHFR (0.38) ADORA2AEGFRADORA1
SCHEMBL3792241 0.68 ADORA2A (0.46) ADORA2AADORA3ADORA2BCYP2C19ADORA1
SCHEMBL3787415 0.67 ADORA2B (0.42) ADORA2AADORA2BEGFRADORA1

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-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 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-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA3 4/4885ADORA2B 1/4885

“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.