Sugi Predict

Sugi Predict / Compounds / SCHEMBL6299609

SCHEMBL6299609

SCHEMBL6299609

CC1(C)[C@]2(O)[C@H](n3cnc4c(N)ncnc43)O[C@H](C(O)CN)[C@]12O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.54
▸ ADORA3 P0DMS8 4/20 0.48
▸ PI4KA P42356 2/20 0.45
▸ PI4K2B Q8TCG2 2/20 0.45
▸ PI4K2A Q9BTU6 2/20 0.45
▸ PI4KB Q9UBF8 2/20 0.45
▸ ADORA2B P29275 2/20 0.43
▸ DOT1L Q8TEK3 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ SLC28A1 O00337 1/20 0.43
▸ MAP3K7 O43318 1/20 0.43
▸ SLC28A2 O43868 1/20 0.43
▸ GAPDH P04406 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ STAT6 P42226 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SLC29A1 Q99808 1/20 0.43

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
SCHEMBL3408365 0.92 ADORA2A (0.54) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL6864727 0.88 ADORA2A (0.54) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL3409866 0.86 ADA (0.51) ADORA2AADORA3SMN1; SMN2ADATSHR
SCHEMBL10439705 0.86 ADORA2A (0.54) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL11703712 0.85 ADORA2A (0.54) ADORA2AADORA3ADORA2BKMT2AADORA1
SCHEMBL6298549 0.84 ADORA2A (0.53) ADORA2AADORA3ADORA2BKMT2AADORA1
SCHEMBL3409898 0.84 ADORA2A (0.53) ADORA2AADORA3ADORA2BKMT2AADORA1
SCHEMBL11701245 0.84 ADORA2A (0.53) ADORA2AADORA3ADORA2BKMT2AADORA1
SCHEMBL19692161 0.83 ADORA2A (0.58) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL11040343 0.83 ADORA2A (0.58) ADORA2AADORA3PI4KAPI4K2BPI4K2A

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-6903079-B2 Nucleoside compounds and compositions thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2005-06-07 — — US disclosed
US-20030149050-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof INOTEK CORP. 2003-08-07 — — US disclosed
US-6534651-B2 Substituted isoindolinone derivatives INOTEK PHARMACEUTICALS CORP. 2003-03-18 — — US disclosed
US-20020095044-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2002-07-18 — — 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 (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-20020095044-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof IL1B, PTGS1, MMP8 ADORA2A 211/4885ADORA3 780/4885PI4KA 795/4885
US-20030149050-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof IL1B, PTGS1, MMP8 ADORA2A 211/4885ADORA3 780/4885PI4KA 795/4885

“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.