SCHEMBL1797170

SCHEMBL1797170

O=S(=O)(O)NC[C@H]1O[C@@H](n2cnc3c(NCc4cccs4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.76
SLC29A1 Q99808 3/20 0.76
ADORA2A P29274 4/20 0.59
ADORA1 P30542 4/20 0.59
ADORA2B P29275 1/20 0.59
TP53 P04637 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
PAX8 Q06710 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MITF O75030 1/20 0.54
LMNA P02545 1/20 0.54
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

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
SCHEMBL1795974 0.92 ADORA3 (0.75) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL19991754 0.87 ADORA3 (0.77) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL14713272 0.87 ADORA3 (1.00) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL14713231 0.87 ADORA3 (1.00) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL20626177 0.87 ADORA3 (1.00) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL20626176 0.87 ADORA3 (1.00) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL1797185 0.86 ADORA3 (0.75) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL1797176 0.84 ADORA3 (0.67) ADORA3SLC29A1ADORA2AADORA1ADORA2B
SCHEMBL1796043 0.84 SLC29A1 (0.63) ADORA3SLC29A1TP53TDP1
SCHEMBL1796343 0.83 PAX8 (0.61) ADORA3ADORA2AADORA1PAX8TSHR

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-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 US disclosed
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-19 US disclosed
EP-1848718-B1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2012-08-01 EP disclosed
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
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 US 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 (6 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 ADORA3 1669/4885SLC29A1 1761/4885ADORA2A 1750/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 ADORA3 3584/4885SLC29A1 3671/4885ADORA2A 3026/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 ADORA3 24/4885SLC29A1 1134/4885ADORA2A 185/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 ADORA3 3584/4885SLC29A1 3671/4885ADORA2A 3026/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 ADORA3 24/4885SLC29A1 1134/4885ADORA2A 185/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 ADORA3 3584/4885SLC29A1 3671/4885ADORA2A 3026/4885

“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.