Sugi Predict

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SCHEMBL260607

SCHEMBL260607

CNc1nc(C#N)nc2c1ncn2[C@@H]1O[C@H](C(=O)O)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 15/20 0.55
▸ ADORA1 P30542 8/20 0.55
▸ ADORA2A P29274 6/20 0.49
▸ ADORA2B P29275 2/20 0.47
▸ NT5E P21589 1/20 0.44
▸ TMIGD3 P0DMS9 2/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42

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
SCHEMBL12935989 0.92 ADORA3 (0.55) ADORA3ADORA1ADORA2AADORA2BTMIGD3
SCHEMBL260418 0.91 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL260619 0.89 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL260716 0.89 ADORA3 (0.40) ADORA3ADORA1ADORA2AADORA2BCTSL
SCHEMBL260746 0.87 PI4KA (0.47) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL12935987 0.84 ADORA3 (0.56) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL260775 0.84 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL12935982 0.82 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL260662 0.81 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL260577 0.79 PI4KA (0.47) ADORA3ADORA1ADORA2AADORA2B

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 7 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
US-20070238694-A1 Purine compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-11 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ADORA3 28/4885ADORA1 9/4885ADORA2A 2/4885
US-20110059915-A1 PURINE DERIVATIVES AND METHODS OF USE THEREOF PNP, NUDT1, HPRT1 ADORA3 26/4885ADORA1 22/4885ADORA2A 4/4885

“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.