SCHEMBL3788901

SCHEMBL3788901

Nc1nc(-c2ccncc2F)c(-c2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA2A P29274 1/20 0.37
CYP2C19 P33261 1/20 0.37
CDC7 O00311 1/20 0.36
RAB9A P51151 3/20 0.35
MAPK14 Q16539 2/20 0.35
GCGR P47871 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
DHFR P00374 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.34
NUDT1 P36639 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL996390 0.86 ALDH1A1 (0.40) ADORA2BADORA2ACDC7ALDH1A1MAPT
SCHEMBL3789867 0.85 DHFR (0.42) ADORA2BADORA2ARAB9AALDH1A1DHFR
SCHEMBL3789859 0.84 RAB9A (0.40) ADORA2BCYP3A4ADORA2ACYP2C19CDC7
SCHEMBL3790899 0.82 ALDH1A1 (0.42) ADORA2BCYP3A4ADORA2ACYP2C19CDC7
SCHEMBL14546839 0.82 RAB9A (0.33) CYP3A4CYP2C19CDC7RAB9AMAPK14
SCHEMBL3786433 0.81 ADORA2A (0.44) ADORA2BADORA2ARAB9ATDP1NPC1
SCHEMBL4052641 0.81 ADORA2A (0.48) ADORA2BCYP3A4ADORA2ACDC7MAPK14
SCHEMBL3789853 0.80 ADORA2B (0.40) ADORA2BCYP3A4ADORA2ACYP2C19CDC7
SCHEMBL3787415 0.78 ADORA2B (0.42) ADORA2BCYP3A4ADORA2ARAB9AALDH1A1
SCHEMBL994805 0.78 DHFR (0.36) ADORA2BADORA2AALDH1A1DHFRMAPT

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 8 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-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
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
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
EP-1931666-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-06-18 EP disclosed
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 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-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885CYP3A4 1582/4885ADORA2A 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.