SCHEMBL193375

SCHEMBL193375

C[C@H]1Cc2ccccc2[C@H]1Nc1ncnc2c1ccn2[C@@H]1C[C@@H](O)[C@H](N(C)S(=O)(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 10/20 0.48
UBA3 Q8TBC4 9/20 0.48
UBA6 A0AVT1 6/20 0.48
CA2 P00918 2/20 0.48
GRK5 P34947 1/20 0.48
CSNK1A1 P48729 1/20 0.48
NEDD8 Q15843 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL5469561 1.00 NAE1 (0.48) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865998 1.00 NAE1 (0.48) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865934 1.00 NAE1 (0.48) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865992 0.94 NAE1 (0.49) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865997 0.90 NAE1 (0.48) NAE1UBA3UBA6CA2GRK5
SCHEMBL192519 0.90 NAE1 (0.50) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865915 0.90 NAE1 (0.50) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865950 0.90 NAE1 (0.50) NAE1UBA3UBA6CA2GRK5
SCHEMBL10005118 0.90 NAE1 (0.48) NAE1UBA3UBA6CA2GRK5
SCHEMBL193954 0.90 NAE1 (0.50) NAE1UBA3UBA6CA2GRK5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES MILLENNIUM PHARM INC (US) 2013-10-31 US disclosed
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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
EP-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 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 (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 NAE1 41/4885UBA3 12/4885UBA6 728/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885UBA6 728/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885UBA6 728/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885UBA6 728/4885
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885UBA6 728/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 NAE1 75/4885UBA3 19/4885UBA6 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.