SCHEMBL1796384

SCHEMBL1796384

Cc1cnc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CNS(=O)(=O)O)[C@@H](O)[C@H]2O)cn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
STAT6 P42226 1/20 0.53
GMNN O75496 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
SLC29A1 Q99808 4/20 0.52
TP53 P04637 3/20 0.51
PAX8 Q06710 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL1795810 0.93 ADORA3 (0.52) ADORA3ADORA2AADORA1TSHRNFKB1
SCHEMBL1796388 0.86 UBA6 (0.58) ADORA3ADORA2AADORA1TSHRNFKB1
SCHEMBL1796387 0.85 ADORA3 (0.48) ADORA3ADORA2AADORA1TSHRNFKB1
SCHEMBL5318664 0.84 SLC29A1 (0.55) ADORA3ADORA2AADORA1SLC29A1TP53
SCHEMBL1796043 0.81 SLC29A1 (0.63) ADORA3SLC29A1TP53TDP1
SCHEMBL1797629 0.81 SLC29A1 (0.59) ADORA3ADORA2AADORA1SLC29A1
SCHEMBL1797170 0.81 ADORA3 (0.76) ADORA3ADORA2AADORA1TSHRNFKB1
SCHEMBL1796390 0.80 ADORA3 (0.54) ADORA3ADORA2AADORA1PMP22SLC29A1
SCHEMBL1798256 0.80 SLC29A1 (0.55) ADORA3ADORA2AADORA1TSHRNFKB1
SCHEMBL1798216 0.79 PRKAG1 (0.58) ADORA3ADORA2AADORA1SLC29A1TP53

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-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
EP-1848718-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-31 EP disclosed
WO-2006084281-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-10 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-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 ADORA3 3584/4885ADORA2A 3026/4885ADORA1 2055/4885

“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.