SCHEMBL3786302

SCHEMBL3786302

Nc1cc(-c2ccnc(N)c2N)c(-c2cnco2)nc1N

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
PTK2 Q05397 1/20 0.34
ATR Q13535 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ADORA2B P29275 3/20 0.32
ADORA2A P29274 3/20 0.32
ADORA1 P30542 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
AAK1 Q2M2I8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4049446 0.81 MEN1 (0.42) ADORA2BADORA2AADORA1MEN1KMT2A
SCHEMBL3789774 0.81 ADORA2B (0.44) MAP4K4IMPDH2IMPDH1PTK2ATR
SCHEMBL3786295 0.80 PTK2 (0.51) MAP4K4IMPDH2IMPDH1PTK2ATR
SCHEMBL3789780 0.77 ATR (0.35) MAP4K4IMPDH2IMPDH1ATRADORA2B
SCHEMBL3792272 0.77 ADORA2A (0.33) ADORA2BADORA2AADORA1
SCHEMBL4050628 0.69 ALDH1A1 (0.46) ADORA2BADORA2AADORA1CYP1A2CYP3A4
SCHEMBL4049734 0.69 FYN (0.42) MAP4K4ADORA2BADORA2AADORA1MEN1
SCHEMBL3787415 0.65 ADORA2B (0.42) MAP4K4IMPDH2IMPDH1PTK2ATR
SCHEMBL3793025 0.65 AAK1 (0.43) MAP4K4PTK2ATRCYP11B1CYP11B2
SCHEMBL30753584 0.64 MAP4K4 (0.45) MAP4K4IMPDH2IMPDH1PTK2ATR

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 MAP4K4 3135/4885IMPDH2 47/4885IMPDH1 102/4885

“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.