Sugi Predict

Sugi Predict / Compounds / SCHEMBL1798219

SCHEMBL1798219

SCHEMBL1798219

NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc5c(c4)OCO5)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 1/20 0.59
▸ PRKAA1 Q13131 1/20 0.59
▸ PRKAB1 Q9Y478 1/20 0.59
▸ ADORA3 P0DMS8 5/20 0.59
▸ UBA6 A0AVT1 1/20 0.57
▸ ATG7 O95352 1/20 0.57
▸ UBA7 P41226 1/20 0.57
▸ NAE1 Q13564 1/20 0.57
▸ UBA3 Q8TBC4 1/20 0.57
▸ SAE1 Q9UBE0 1/20 0.57
▸ SLC29A1 Q99808 2/20 0.57
▸ DNPH1 O43598 1/20 0.56
▸ TP53 P04637 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ ADORA2A P29274 1/20 0.54
▸ ADORA1 P30542 1/20 0.54

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
SCHEMBL1796692 0.89 PRKAG1 (0.59) PRKAG1PRKAA1PRKAB1ADORA3SLC29A1
SCHEMBL14714087 0.88 ADORA3 (0.60) PRKAG1PRKAA1PRKAB1ADORA3SLC29A1
SCHEMBL14714098 0.87 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1ADORA3SLC29A1
SCHEMBL20626299 0.87 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1ADORA3SLC29A1
SCHEMBL20626363 0.87 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1ADORA3SLC29A1
SCHEMBL27898344 0.87 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1ADORA3SLC29A1
SCHEMBL14713285 0.87 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1ADORA3SLC29A1
SCHEMBL1798216 0.87 PRKAG1 (0.58) PRKAG1PRKAA1PRKAB1ADORA3SLC29A1
SCHEMBL20626432 0.86 ADORA3 (0.64) PRKAG1PRKAA1PRKAB1ADORA3SLC29A1
SCHEMBL14714024 0.86 ADORA3 (0.64) PRKAG1PRKAA1PRKAB1ADORA3SLC29A1

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 23 patents — showing the first 20. 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-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-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 — — US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 — — US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 — — US disclosed
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 — — 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-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 — — US 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
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — 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 (7 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 PRKAG1 189/4885PRKAA1 211/4885PRKAB1 267/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 PRKAG1 189/4885PRKAA1 211/4885PRKAB1 267/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 PRKAG1 411/4885PRKAA1 726/4885PRKAB1 802/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 PRKAG1 3033/4885PRKAA1 1901/4885PRKAB1 2041/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 PRKAG1 189/4885PRKAA1 211/4885PRKAB1 267/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 PRKAG1 411/4885PRKAA1 726/4885PRKAB1 802/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 PRKAG1 411/4885PRKAA1 726/4885PRKAB1 802/4885

“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.