SCHEMBL3954259

SCHEMBL3954259

NNc1nc(Nc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.76
THPO P40225 2/20 0.76
CYP2C19 P33261 2/20 0.76
ADORA2A P29274 2/20 0.76
ADORA2B P29275 2/20 0.76
MEN1 O00255 1/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
KMT2A Q03164 1/20 0.76
BLM P54132 1/20 0.76
LMNA P02545 2/20 0.71
ALDH1A1 P00352 1/20 0.71
GLA P06280 1/20 0.71
PMP22 Q01453 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
NPC1 O15118 1/20 0.71
NPY1R P25929 1/20 0.71
HTT P42858 1/20 0.71
NPY2R P49146 1/20 0.71
RAB9A P51151 1/20 0.71

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
SCHEMBL5399739 1.00 CYP1A2 (0.76) CYP1A2THPOCYP2C19ADORA2AADORA2B
SCHEMBL5386836 0.89 ADORA2A (0.67) CYP1A2THPOCYP2C19ADORA2AADORA2B
SCHEMBL3954518 0.89 ADORA2A (0.67) CYP1A2THPOCYP2C19ADORA2AADORA2B
SCHEMBL4808305 0.88 CYP1A2 (0.73) CYP1A2THPOCYP2C19ADORA2AADORA2B
SCHEMBL3952297 0.87 ADORA2A (0.65) CYP1A2THPOCYP2C19ADORA2AADORA2B
SCHEMBL5380373 0.87 ADORA2A (0.65) CYP1A2THPOCYP2C19ADORA2AADORA2B
SCHEMBL5392874 0.87 PGK1 (0.73) CYP1A2THPOCYP2C19ADORA2AADORA2B
SCHEMBL3949633 0.87 PGK1 (0.73) CYP1A2THPOCYP2C19ADORA2AADORA2B
SCHEMBL1120606 0.86 CYP1A2 (0.71) CYP1A2THPOCYP2C19ADORA2AADORA2B
SCHEMBL5389974 0.86 LMNA (0.73) CYP1A2THPOCYP2C19ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ELZEIN ELFATIH 2009-06-18 US disclosed
US-7514417-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2009-04-07 US disclosed
US-7381714-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1883646-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-02-06 EP disclosed
EP-1881991-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-01-30 EP disclosed
US-20060281705-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-14 US disclosed
US-20060276428-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-07 US disclosed
WO-2006125211-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 WO disclosed
WO-2006125190-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 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 (3 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-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ADORA1, ADORA2A, ADORA3 CYP1A2 358/4885THPO 2235/4885CYP2C19 768/4885
US-20060281705-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 CYP1A2 358/4885THPO 2235/4885CYP2C19 768/4885
US-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 CYP1A2 358/4885THPO 2235/4885CYP2C19 768/4885

“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.