Sugi Predict

Sugi Predict / Compounds / SCHEMBL1796760

SCHEMBL1796760

SCHEMBL1796760

COc1ncnc2c1ccn2[C@H]1C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.52
▸ PIM1 P11309 1/20 0.47
▸ CSNK2A2 P19784 1/20 0.47
▸ CSNK2B P67870 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ CSNK2A3 Q8NEV1 1/20 0.47
▸ PRMT5 O14744 3/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45
▸ ADK P55263 1/20 0.45
▸ METTL3 Q86U44 2/20 0.43

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
SCHEMBL25752662 0.85 HIF1A (0.55) HIF1APIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL13771420 0.85 HIF1A (0.52) HIF1APIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL13771415 0.84 HIF1A (0.48) HIF1APRMT5ADKMETTL3
SCHEMBL1794350 0.84 ATG7 (0.63) —
SCHEMBL25752747 0.84 HIF1A (0.53) HIF1APIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL29398412 0.84 HIF1A (0.53) HIF1APIM1CSNK2A2CSNK2BCSNK2A1
2'-Deoxytubercidin SCHEMBL23982116 0.83 METTL3 (0.57) HIF1APRMT5ADKMETTL3
2'-Deoxytubercidin SCHEMBL14104716 0.83 METTL3 (0.57) HIF1APRMT5ADKMETTL3
SCHEMBL20691354 0.83 HIF1A (0.52) HIF1APIM1CSNK2A2CSNK2BCSNK2A1
2'-Deoxytubercidin SCHEMBL3229680 0.83 METTL3 (0.57) HIF1APRMT5ADKMETTL3

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-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-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
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 — — 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 (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 HIF1A 1015/4885PIM1 1166/4885CSNK2A2 2175/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 HIF1A 1015/4885PIM1 1166/4885CSNK2A2 2175/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 HIF1A 781/4885PIM1 1695/4885CSNK2A2 1475/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 HIF1A 3109/4885PIM1 1492/4885CSNK2A2 1446/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 HIF1A 1015/4885PIM1 1166/4885CSNK2A2 2175/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 HIF1A 781/4885PIM1 1695/4885CSNK2A2 1475/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 HIF1A 3109/4885PIM1 1492/4885CSNK2A2 1446/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 HIF1A 781/4885PIM1 1695/4885CSNK2A2 1475/4885

“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.