SCHEMBL191320

SCHEMBL191320

C#Cc1cn([C@@H]2C[C@@H](COS(N)(=O)=O)[C@@H](O)C2)c2ncnc(C)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.51
NAE1 Q13564 14/20 0.44
UBA3 Q8TBC4 13/20 0.44
CSNK1A1 P48729 2/20 0.44
UBA6 A0AVT1 2/20 0.44
GRK5 P34947 1/20 0.44
NEDD8 Q15843 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
DAPK3 O43293 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 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
SCHEMBL1795625 0.79 NAE1 (0.51) CA2NAE1UBA3CSNK1A1UBA6
SCHEMBL17875179 0.78 NAE1 (0.61) CA2NAE1UBA3CSNK1A1UBA6
SCHEMBL192779 0.78 NAE1 (0.61) CA2NAE1UBA3CSNK1A1UBA6
SCHEMBL17865993 0.77 LCK (0.41) CA2CSNK1A1DAPK3MAP4K4PAK4
SCHEMBL17866055 0.77 ABL1 (0.46) CSNK1A1DAPK3MAP4K4PAK4ABL1
SCHEMBL192379 0.71 NAE1 (0.62) CA2NAE1UBA3CSNK1A1UBA6
SCHEMBL17875227 0.71 NAE1 (0.62) CA2NAE1UBA3CSNK1A1UBA6
SCHEMBL192708 0.70 NAE1 (0.68) CA2NAE1UBA3CSNK1A1UBA6
SCHEMBL12986946 0.70 NAE1 (0.59) CA2NAE1UBA3CSNK1A1UBA6
SCHEMBL191643 0.70 NAE1 (0.59) CA2NAE1UBA3CSNK1A1UBA6

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP claimed
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP disclosed
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP disclosed
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES MILLENNIUM PHARM INC (US) 2013-10-31 US disclosed
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES MILLENNIUM PHARM INC (US) 2013-10-31 US disclosed
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
US-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
EP-1989206-B1 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2012-07-04 EP disclosed
US-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
EP-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 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 (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-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 CA2 3826/4885NAE1 41/4885UBA3 12/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 CA2 3826/4885NAE1 41/4885UBA3 12/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 CA2 3826/4885NAE1 41/4885UBA3 12/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 CA2 3826/4885NAE1 41/4885UBA3 12/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 CA2 3434/4885NAE1 75/4885UBA3 19/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 CA2 3826/4885NAE1 41/4885UBA3 12/4885

“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.