SCHEMBL3791797

SCHEMBL3791797

Nc1nc(-c2cccnc2)c(-c2ccncc2F)cc1NC(=O)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.64
CYP2C19 P33261 4/20 0.64
CYP3A4 P08684 4/20 0.64
ADORA2A P29274 8/20 0.56
ADORA1 P30542 4/20 0.51
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
ADORA3 P0DMS8 3/20 0.48
GSK3B P49841 3/20 0.47
ABL1 P00519 2/20 0.47
DYRK1A Q13627 2/20 0.47
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
GSK3A P49840 2/20 0.45

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
SCHEMBL3796945 0.82 ABCB1 (0.49) ADORA2BCYP2C19CYP3A4HDAC3HDAC1
SCHEMBL3789463 0.81 HDAC3 (0.50) ADORA2BCYP2C19CYP3A4HDAC3HDAC1
SCHEMBL3793080 0.80 ABCB1 (0.47) ADORA2BCYP2C19CYP3A4HDAC1GSK3B
SCHEMBL3796978 0.80 ATR (0.44) ADORA2BCYP2C19CYP3A4ADORA2ACYP1A2
SCHEMBL3794201 0.79 PIKFYVE (0.45) ADORA2BCYP2C19CYP3A4HDAC3HDAC1
SCHEMBL4052164 0.78 ADORA2B (0.74) ADORA2BCYP2C19CYP3A4ADORA2AADORA1
Las101057 SCHEMBL29941566 0.78 ADORA2B (1.00) ADORA2BCYP2C19CYP3A4ADORA2AADORA1
Las101057 SCHEMBL3075657 0.78 ADORA2B (1.00) ADORA2BCYP2C19CYP3A4ADORA2AADORA1
SCHEMBL3792560 0.78 ATR (0.44) ADORA2BCYP2C19CYP3A4
SCHEMBL3788574 0.78 ABCB1 (0.61) CYP3A4HDAC3HDAC1HDAC2CYP2C9

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 1/4885CYP2C19 1080/4885CYP3A4 1582/4885

“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.