SCHEMBL4168665

SCHEMBL4168665

O=C(Nc1nc(OC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.65
▸ ADORA2B P29275 3/20 0.65
▸ ADORA3 P0DMS8 3/20 0.55
▸ ADORA1 P30542 3/20 0.55

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
SCHEMBL27937290 0.88 ADORA2A (0.62) ADORA2AADORA2BADORA3ADORA1
SCHEMBL27684195 0.87 ADORA2A (0.69) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4158667 0.86 ADORA2A (0.47) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4148758 0.82 P2RX3 (0.46) ADORA2AADORA2B
SCHEMBL4152096 0.81 LMNA (0.53) ADORA2AADORA2B
SCHEMBL6684504 0.81 ADORA1 (0.55) ADORA2AADORA2BADORA3ADORA1
SCHEMBL17889837 0.80 LMNA (0.72) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9945526 0.80 LMNA (0.72) ADORA2AADORA2BADORA3ADORA1
SCHEMBL21953578 0.80 LMNA (0.72) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6909853 0.80 LMNA (0.72) ADORA2AADORA2BADORA3ADORA1

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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 — — US disclosed
CN-101072787-A Substituted adenines and the use thereof ASTRAZENECA AB (SE) 2007-11-14 — — CN disclosed
EP-1805196-A1 SUBSTITUTED ADENINES AND THE USE THEREOF AstraZeneca AB (SE) 2007-07-11 — — EP disclosed
WO-2006040558-A1 SUBSTITUTED ADENINES AND THE USE THEREOF ASTRAZENECA AB (SE) 2006-04-20 — — 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 ADORA2A 33/4885ADORA2B 46/4885ADORA3 29/4885

“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.

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