SCHEMBL3699117

SCHEMBL3699117

O=c1[nH]c(=O)n(CCO)c2nc[nH]c12

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.73
PDE4B Q07343 10/20 0.73
PDE4C Q08493 10/20 0.73
PDE4D Q08499 10/20 0.73
ADORA2A P29274 10/20 0.73
ADORA2B P29275 7/20 0.73
HPGD P15428 2/20 0.73
ADORA3 P0DMS8 2/20 0.73
ADORA1 P30542 1/20 0.73
BLM P54132 1/20 0.73
PDE3A Q14432 1/20 0.73
HSD17B10 Q99714 1/20 0.73
PNP P00491 1/20 0.61
MPO P05164 2/20 0.46
TPO P07202 2/20 0.46
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL30488609 0.91 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DADORA2A
Enprofylline SCHEMBL1817246 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
Enprofylline SCHEMBL156402 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7602847 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5515323 0.81 ADORA2A (0.71) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7466316 0.81 ADORA2A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL383123 0.81 ADORA2A (0.72) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9791629 0.80 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL19370607 0.79 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL25834247 0.79 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DADORA2A

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-20100009934-A1 BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2010-01-14 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-20100009934-A1 BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADRB1, ADRB2, ADRA2B PDE4A 20/4885PDE4B 21/4885PDE4C 31/4885

“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.