SCHEMBL4590998

SCHEMBL4590998

CCOC(=O)c1ccc2nc(NC(=O)c3cccc(C#N)c3)n(CCCOC)c2n1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.77
ITK Q08881 1/20 0.52

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
SCHEMBL8246488 0.88 ADORA2A (0.60) ADORA2AITK
SCHEMBL4590235 0.88 ADORA2A (0.86) ADORA2AITK
SCHEMBL4590765 0.87 ADORA2A (0.86) ADORA2AITK
SCHEMBL14156154 0.87 ADORA2A (1.00) ADORA2AITK
SCHEMBL4590427 0.86 ADORA2A (0.80) ADORA2A
SCHEMBL4589421 0.85 ADORA2A (0.73) ADORA2A
SCHEMBL4590205 0.85 ADORA2A (0.76) ADORA2A
SCHEMBL14156039 0.85 ADORA2A (1.00) ADORA2AITK
SCHEMBL4589290 0.84 ADORA2A (0.57) ADORA2A
SCHEMBL14156187 0.83 ADORA2A (0.79) ADORA2AITK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases PHARMACOPEIA, INC. (US) 2008-06-19 US disclosed
US-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases PHARMACOPEIA, INC. (US) 2008-06-19 US disclosed
US-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases PHARMACOPEIA, INC. (US) 2008-06-19 US 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-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ITK 3770/4885

“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.