SCHEMBL3789780

SCHEMBL3789780

Nc1cc(-c2c(F)cnc(N)c2N)c(-c2cnco2)nc1N

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.35
AAK1 Q2M2I8 1/20 0.32
MAP4K4 O95819 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADORA2B P29275 1/20 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
SCHEMBL3792248 0.78 ADORA2A (0.32) ADORA2B
SCHEMBL3786302 0.77 MAP4K4 (0.35) ATRAAK1MAP4K4IMPDH2IMPDH1
SCHEMBL3789774 0.76 ADORA2B (0.44) ATRAAK1MAP4K4IMPDH2IMPDH1
SCHEMBL994809 0.75 ADORA2A (0.38) ATRMAP4K4
SCHEMBL3786295 0.72 PTK2 (0.51) ATRMAP4K4IMPDH2IMPDH1ADORA2B
SCHEMBL3787423 0.65 AAK1 (0.38) ATRAAK1IMPDH2IMPDH1CYP1A2
SCHEMBL995602 0.65 DPP4 (0.37) ATRMAP4K4
SCHEMBL16371167 0.63 IMPDH2 (0.43) ATRAAK1MAP4K4IMPDH2IMPDH1
SCHEMBL995482 0.62 ADORA2A (0.43) MAP4K4ADORA2B
SCHEMBL20446844 0.62 GAA (0.41) AAK1MAP4K4IMPDH2IMPDH1CYP1A2

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 4 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
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 ATR 4169/4885AAK1 777/4885MAP4K4 3135/4885

“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.