SCHEMBL259441

SCHEMBL259441

N/C=C(\O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 12/20 0.78
▸ HIF1A Q16665 1/20 0.78
▸ TMEM97 Q5BJF2 1/20 0.78
▸ SIGMAR1 Q99720 1/20 0.78
▸ ADORA2B P29275 3/20 0.71
▸ HSP90B1 P14625 2/20 0.71
▸ ADORA2A P29274 2/20 0.71
▸ ADORA3 P0DMS8 4/20 0.67
▸ TSHR P16473 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ THRB P10828 1/20 0.65
▸ BLM P54132 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ HSP90AA1 P07900 1/20 0.65
▸ ADORA1 P30542 1/20 0.65

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
SCHEMBL259442 1.00 AHCY (0.78) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL5567792 0.91 AHCY (0.78) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL5567795 0.91 AHCY (0.78) AHCYHIF1ATMEM97SIGMAR1ADORA2B
5'-Carboxy Adenosine SCHEMBL2117257 0.88 AHCY (1.00) AHCYHIF1ATMEM97SIGMAR1ADORA2B
5'-Carboxy Adenosine SCHEMBL8981282 0.88 AHCY (1.00) AHCYHIF1ATMEM97SIGMAR1ADORA2B
5'-Carboxy Adenosine SCHEMBL2117314 0.88 AHCY (1.00) AHCYHIF1ATMEM97SIGMAR1ADORA2B
5'-Carboxy Adenosine SCHEMBL29376409 0.88 AHCY (1.00) AHCYHIF1ATMEM97SIGMAR1ADORA2B
5'-Carboxy Adenosine SCHEMBL3815016 0.88 AHCY (1.00) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL9410993 0.86 AHCY (0.72) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL784035 0.86 AHCY (0.72) AHCYHIF1ATMEM97SIGMAR1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133880-B2 Purine derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-03-13 — — US disclosed
EP-1802316-B1 PURINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2011-11-02 — — EP disclosed
US-20110059915-A1 PURINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2011-03-10 — — US disclosed
US-7863253-B2 Purine Derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2011-01-04 — — US disclosed
EP-1996020-A2 PURINE COMPOUNDS AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2008-12-03 — — EP disclosed
US-20070238694-A1 Purine compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-11 — — US disclosed
WO-2007111954-A2 PURINE COMPOUNDS AND METHODS OF USE THEREOF INOTEK PHAMACEUTICALS CORPORATION (US) 2007-10-04 — — WO disclosed
EP-1802316-A2 PURINE DERIVATIVES AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2007-07-04 — — EP disclosed
US-20060128652-A1 Purine derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2006-06-15 — — US disclosed
WO-2006034190-A2 PURINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2006-03-30 — — 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-20070238694-A1 Purine compounds and methods of use thereof PNP, ADORA2A, P2RY1 AHCY 142/4885HIF1A 512/4885TMEM97 3684/4885
US-20110059915-A1 PURINE DERIVATIVES AND METHODS OF USE THEREOF PNP, NUDT1, HPRT1 AHCY 194/4885HIF1A 237/4885TMEM97 3969/4885
US-20060128652-A1 Purine derivatives and methods of use thereof PNP, NUDT1, HPRT1 AHCY 194/4885HIF1A 237/4885TMEM97 3969/4885

“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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