SCHEMBL4589290

SCHEMBL4589290

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.57
PTGER4 P35408 1/20 0.45
CYP1A2 P05177 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX12 P18054 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
USP2 O75604 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL4590998 0.84 ADORA2A (0.77) ADORA2A
SCHEMBL14156154 0.73 ADORA2A (1.00) ADORA2A
SCHEMBL5157503 0.72 CYP1A2 (0.52) ADORA2ACYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL8246488 0.72 ADORA2A (0.60) ADORA2A
SCHEMBL4590235 0.72 ADORA2A (0.86) ADORA2A
SCHEMBL26488391 0.72 F11 (0.52) ADORA2ACYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL4590765 0.71 ADORA2A (0.86) ADORA2A
SCHEMBL5336597 0.70 CYP1A2 (0.48) ADORA2ACYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL5336593 0.70 CYP1A2 (0.50) ADORA2ACYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL4590427 0.70 ADORA2A (0.80) ADORA2A

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 1 patent. 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

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 1/4885PTGER4 618/4885CYP1A2 1520/4885

“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.