SCHEMBL783279

SCHEMBL783279

OC[C@@H]1C[C@@H](Nc2cc(Cl)ncn2)C[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NAE1 Q13564 4/20 0.41
UBA3 Q8TBC4 4/20 0.41
CCNT1 O60563 1/20 0.33
S1PR1 P21453 7/20 0.32
NPC1 O15118 1/20 0.31
PRCP P42785 1/20 0.31

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
SCHEMBL27783688 1.00 MEN1 (0.52) MEN1KMT2ANAE1UBA3CCNT1
SCHEMBL782492 1.00 MEN1 (0.52) MEN1KMT2ANAE1UBA3CCNT1
SCHEMBL29185473 0.81 MEN1 (0.63) MEN1KMT2ACCNT1S1PR1NPC1
SCHEMBL29185470 0.81 MEN1 (0.63) MEN1KMT2ACCNT1S1PR1NPC1
SCHEMBL23455970 0.78 NPC1 (0.35) MEN1KMT2ANAE1UBA3NPC1
SCHEMBL22401408 0.78 NPC1 (0.35) MEN1KMT2ANAE1UBA3NPC1
SCHEMBL2876055 0.78 MEN1 (0.46) MEN1KMT2ANAE1UBA3
SCHEMBL2876057 0.78 MEN1 (0.46) MEN1KMT2ANAE1UBA3
SCHEMBL782753 0.78 MEN1 (0.46) MEN1KMT2ANAE1UBA3
SCHEMBL783697 0.76 MEN1 (0.42) MEN1KMT2ANAE1UBA3PRCP

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 MEN1 2314/4885KMT2A 2172/4885NAE1 24/4885
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 MEN1 2314/4885KMT2A 2172/4885NAE1 24/4885
US-20130345242-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 MEN1 2314/4885KMT2A 2172/4885NAE1 24/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 MEN1 2314/4885KMT2A 2172/4885NAE1 24/4885
US-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 MEN1 2314/4885KMT2A 2172/4885NAE1 24/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 MEN1 2314/4885KMT2A 2172/4885NAE1 24/4885
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 MEN1 2314/4885KMT2A 2172/4885NAE1 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.