SCHEMBL782355

SCHEMBL782355

CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](Oc2ncnc3c2nc(-c2ccccc2)n3Cc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.41
DAPK1 P53355 1/20 0.41
NAE1 Q13564 1/20 0.40
UBA3 Q8TBC4 1/20 0.40
TLR7 Q9NYK1 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL12393040 0.75 CYP2C19 (0.33) PIK3CD
SCHEMBL782981 0.74 PIK3CD (0.37) PIK3CD
SCHEMBL782634 0.73
SCHEMBL783290 0.73 CYP2C19 (0.46) PIK3CDNAE1UBA3
SCHEMBL783683 0.72 NAE1 (0.49) NAE1UBA3KCNH2
SCHEMBL783283 0.72 ADORA3 (0.55)
SCHEMBL782836 0.71 NAE1 (0.57) PIK3CDDAPK1NAE1UBA3
SCHEMBL782794 0.71 NAE1 (0.51) NAE1UBA3
SCHEMBL782621 0.71 FFAR2 (0.32) NAE1UBA3
SCHEMBL782620 0.71 FFAR2 (0.32) NAE1UBA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
US-9458108-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 US disclosed
US-9150525-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20150183753-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-02 US disclosed
US-8901136-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-09 US disclosed
US-20130345242-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-26 US disclosed
US-8481550-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
US-8008307-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
EP-2049491-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2010-10-20 EP disclosed
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-28 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 (7 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-20150183753-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PIK3CD 1261/4885DAPK1 2092/4885NAE1 24/4885
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PIK3CD 1261/4885DAPK1 2092/4885NAE1 24/4885
US-20130345242-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PIK3CD 1261/4885DAPK1 2092/4885NAE1 24/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 PIK3CD 1261/4885DAPK1 2092/4885NAE1 24/4885
US-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PIK3CD 1261/4885DAPK1 2092/4885NAE1 24/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PIK3CD 1261/4885DAPK1 2092/4885NAE1 24/4885
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PIK3CD 1261/4885DAPK1 2092/4885NAE1 24/4885

“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.