Sugi Predict

Sugi Predict / Compounds / SCHEMBL1798804

SCHEMBL1798804

SCHEMBL1798804

CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.54
▸ ADORA1 P30542 4/20 0.50
▸ AHCY P23526 3/20 0.49
▸ ADORA3 P0DMS8 3/20 0.49
▸ ADORA2B P29275 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ DPP4 P27487 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ SLC28A1 O00337 1/20 0.49
▸ MAP3K7 O43318 1/20 0.49
▸ SLC28A2 O43868 1/20 0.49
▸ GAPDH P04406 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ STAT6 P42226 1/20 0.49
▸ PI4KA P42356 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PI4K2B Q8TCG2 1/20 0.49
▸ DOT1L Q8TEK3 1/20 0.49
▸ SLC29A1 Q99808 1/20 0.49

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
SCHEMBL8887068 1.00 BCHE (0.54) BCHEADORA1AHCYADORA3ADORA2B
SCHEMBL17889850 1.00 BCHE (0.54) BCHEADORA1AHCYADORA3ADORA2B
SCHEMBL14429051 0.90 ADORA1 (0.49) BCHEADORA1AHCYADORA3ADORA2B
SCHEMBL9851774 0.89 BCHE (0.43) BCHEADORA1ADORA3SLC29A1
SCHEMBL12154782 0.89 AHCY (0.47) ADORA1AHCYADORA3ADORA2BSMN1; SMN2
SCHEMBL9851784 0.89 BCHE (0.43) BCHEADORA1ADORA3SLC29A1
SCHEMBL14429052 0.88 AHCY (0.52) ADORA1AHCYADORA3ADORA2BSMN1; SMN2
SCHEMBL9850201 0.88 BCHE (0.54) BCHEADORA1AHCYADORA3ADORA2B
SCHEMBL9850195 0.88 BCHE (0.54) BCHEADORA1AHCYADORA3ADORA2B
SCHEMBL646292 0.87 BCHE (0.56) BCHEADORA1AHCYADORA3ADORA2B

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 18 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-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 — — US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 — — 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
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 — — US disclosed
EP-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 — — EP disclosed
EP-1848718-B1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2012-08-01 — — EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 — — WO 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
US-5597824-A VIRICIDES ABBOTT LABORATORIES (US) 1997-01-28 — — US disclosed
US-5420276-A Ring contraction via diazoketone intermediate, active against herpes ABBOTT LABORATORIES (US) 1995-05-30 — — US disclosed
EP-0433898-A2 Analogs of oxetanyl purines and pyrimidines ABBOTT LABORATORIES (US) 1991-06-26 — — EP 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 (8 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 BCHE 151/4885ADORA1 857/4885AHCY 703/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 BCHE 24/4885ADORA1 2055/4885AHCY 1485/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 BCHE 4486/4885ADORA1 232/4885AHCY 4595/4885
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT BCHE 288/4885ADORA1 3801/4885AHCY 172/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 BCHE 24/4885ADORA1 2055/4885AHCY 1485/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT BCHE 288/4885ADORA1 3801/4885AHCY 172/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 BCHE 4486/4885ADORA1 232/4885AHCY 4595/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 BCHE 24/4885ADORA1 2055/4885AHCY 1485/4885

“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.