SCHEMBL1796541

SCHEMBL1796541

CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c2ncncc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.49
HIF1A Q16665 1/20 0.49
TK2 O00142 1/20 0.49
ADRB1 P08588 1/20 0.45
DNMT1 P26358 1/20 0.45
ADK P55263 1/20 0.45
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PIM1 P11309 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
PNP P00491 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3A Q14432 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL1796956 0.86 CA2 (0.41) TK1HIF1ATK2
SCHEMBL1794779 0.84 ATG7 (0.51)
SCHEMBL23080205 0.84 ATG7 (0.51)
SCHEMBL17900862 0.84 ATG7 (0.51)
SCHEMBL24040352 0.79 HIF1A (0.51) TK1HIF1ATK2ADRB1DNMT1
SCHEMBL1796459 0.78 ATG7 (0.38)
SCHEMBL3516854 0.75 HIF1A (0.60) HIF1AADRB1DNMT1LMNASMN1; SMN2
SCHEMBL21625243 0.75 HIF1A (0.60) HIF1AADRB1DNMT1LMNASMN1; SMN2
SCHEMBL12595406 0.75 HIF1A (0.60) HIF1AADRB1DNMT1LMNASMN1; SMN2
SCHEMBL3516851 0.75 HIF1A (0.60) HIF1AADRB1DNMT1LMNASMN1; SMN2

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 12 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
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 (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 TK1 24/4885HIF1A 1015/4885TK2 17/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 TK1 24/4885HIF1A 1015/4885TK2 17/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 TK1 408/4885HIF1A 781/4885TK2 434/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 TK1 908/4885HIF1A 3109/4885TK2 258/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 TK1 24/4885HIF1A 1015/4885TK2 17/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 TK1 408/4885HIF1A 781/4885TK2 434/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 TK1 908/4885HIF1A 3109/4885TK2 258/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 TK1 408/4885HIF1A 781/4885TK2 434/4885

“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.