SCHEMBL1796387

SCHEMBL1796387

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.48
TSHR P16473 3/20 0.47
NFKB1 P19838 2/20 0.47
BLM P54132 2/20 0.47
PMP22 Q01453 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
STAT6 P42226 1/20 0.47
GMNN O75496 1/20 0.47
SLC29A1 Q99808 1/20 0.46

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
SCHEMBL1796384 0.85 ADORA3 (0.53) ADORA3TSHRNFKB1BLMPMP22
SCHEMBL1796046 0.82 SLC29A1 (0.57) ADORA3TSHRNFKB1BLMPMP22
SCHEMBL1797176 0.82 ADORA3 (0.67) ADORA3TSHRNFKB1BLMPMP22
SCHEMBL1797623 0.81 SLC29A1 (0.52) ADORA3ADORA2AADORA1SLC29A1
SCHEMBL1795810 0.81 ADORA3 (0.52) ADORA3TSHRNFKB1BLMPMP22
SCHEMBL1796388 0.81 UBA6 (0.58) ADORA3TSHRNFKB1BLMPMP22
SCHEMBL1798260 0.81 SLC29A1 (0.50) ADORA3ADORA2ASLC29A1
SCHEMBL1798217 0.80 PRKAG1 (0.51) ADORA3TSHRNFKB1BLMPMP22
SCHEMBL1796397 0.80 ADORA3 (0.51) ADORA3ADORA2AADORA1SLC29A1
SCHEMBL1796347 0.80 ADORA3 (0.55) ADORA3TSHRNFKB1BLMPMP22

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 2 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

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 3584/4885TSHR 4091/4885NFKB1 574/4885

“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.