Sugi Predict

Sugi Predict / Compounds / SCHEMBL782889

SCHEMBL782889

SCHEMBL782889

CC1(C)O[C@@H]2[C@@H](CO)C[C@@H](Nc3nc(Cl)nc(N[C@H]4CCc5ccccc54)n3)[C@@H]2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.36
▸ NAE1 Q13564 1/20 0.36
▸ UBA3 Q8TBC4 1/20 0.36
▸ FADS1 O60427 1/20 0.35
▸ P2RX7 Q99572 3/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ IDH1 O75874 2/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ PRKCQ Q04759 2/20 0.33
▸ ACACB O00763 2/20 0.33
▸ PFKFB3 Q16875 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 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
SCHEMBL783761 0.92 ROCK1 (0.37) ROCK1NAE1UBA3P2RX7PDPK1
SCHEMBL783533 0.90 NAE1 (0.40) ROCK1NAE1UBA3PDPK1IDH1
SCHEMBL783882 0.82 NAE1 (0.56) NAE1UBA3IDH1PRKCQACACB
SCHEMBL783640 0.82 NAE1 (0.49) ROCK1NAE1UBA3FADS1
SCHEMBL782716 0.81 NAE1 (0.42) NAE1UBA3FADS1PDPK1MAOA
SCHEMBL16262497 0.81 NAE1 (0.42) NAE1UBA3FADS1PDPK1MAOA
SCHEMBL2351017 0.81 NAE1 (0.42) NAE1UBA3FADS1PDPK1MAOA
SCHEMBL16261900 0.81 NAE1 (0.42) NAE1UBA3FADS1PDPK1MAOA
SCHEMBL16262495 0.81 NAE1 (0.42) NAE1UBA3FADS1PDPK1MAOA
SCHEMBL783134 0.78 NAE1 (0.35) ROCK1NAE1UBA3P2RX7PDPK1

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 ROCK1 1634/4885NAE1 24/4885UBA3 6/4885
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 ROCK1 1634/4885NAE1 24/4885UBA3 6/4885
US-20130345242-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 ROCK1 1634/4885NAE1 24/4885UBA3 6/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 ROCK1 1634/4885NAE1 24/4885UBA3 6/4885
US-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 ROCK1 1634/4885NAE1 24/4885UBA3 6/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 ROCK1 1634/4885NAE1 24/4885UBA3 6/4885
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 ROCK1 1634/4885NAE1 24/4885UBA3 6/4885

“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.