SCHEMBL3794597

SCHEMBL3794597

Nc1cc(-c2c(F)cncc2F)c(-c2cccnc2)nc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.47
ADORA2A P29274 4/20 0.47
NQO2 P16083 3/20 0.47
KDM4E B2RXH2 5/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 1/20 0.41
AXL P30530 2/20 0.39
MEN1 O00255 1/20 0.39
PSIP1 O75475 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CYP3A4 P08684 2/20 0.37
TDO2 P48775 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL3794193 0.86 KDM4E (0.44) ADORA2BADORA2ANQO2KDM4EGAA
SCHEMBL3796932 0.82 ADORA2B (0.42) ADORA2BADORA2ANQO2KDM4EGAA
SCHEMBL3788886 0.80 ADORA2A (0.51) ADORA2BADORA2ANQO2KDM4EGAA
SCHEMBL995482 0.79 ADORA2A (0.43) ADORA2BADORA2AKDM4EGAAALDH1A1
SCHEMBL3786756 0.76 ADORA2A (0.50) ADORA2BADORA2ANQO2KDM4EGAA
SCHEMBL3058845 0.74 ADORA2B (0.51) ADORA2BADORA2ANQO2KDM4EGAA
SCHEMBL18039058 0.74 ADORA2B (0.48) ADORA2BADORA2ANQO2KDM4EGAA
SCHEMBL18039072 0.74 ADORA2B (0.51) ADORA2BADORA2ANQO2KDM4EGAA
SCHEMBL3790711 0.73 PDE3B (0.44) ADORA2BADORA2ACYP2C19MKNK2TDO2
SCHEMBL3075160 0.72 ADORA2B (0.56) ADORA2BADORA2ANQO2KDM4EALDH1A1

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 7 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
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 1/4885ADORA2A 2/4885NQO2 740/4885

“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.