SCHEMBL191323

SCHEMBL191323

Cc1cc(CNc2ncnc3[nH]ccc23)no1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
TTBK1 Q5TCY1 7/20 0.44
TTBK2 Q6IQ55 7/20 0.44
PTK2 Q05397 1/20 0.44
HPGDS O60760 1/20 0.43
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PDE10A Q9Y233 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
KCNH2 Q12809 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
HTR2A P28223 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
SCHEMBL19082954 0.72 PTK2 (0.52) HDAC6TTBK1TTBK2PTK2HPGDS
SCHEMBL19082958 0.72 HDAC6 (0.52) HDAC6TTBK1TTBK2PTK2HPGDS
SCHEMBL23409028 0.72 TTBK1 (0.59) HDAC6TTBK1TTBK2HPGDS
SCHEMBL28103460 0.72 TTBK1 (0.52) HDAC6TTBK1TTBK2PTK2HPGDS
SCHEMBL29668044 0.72 TLR7 (0.53) PDE10AKCNH2TLR7HTR2A
Hydrochloric Acid SCHEMBL29729076 0.71 TTBK1 (0.58) HDAC6TTBK1TTBK2HPGDS
SCHEMBL4354437 0.71 JAK2 (0.68) HDAC6TTBK1TTBK2
SCHEMBL16266363 0.70 TTBK1 (0.61) HDAC6TTBK1TTBK2
SCHEMBL22346237 0.70 HDAC6 (0.62) HDAC6TTBK1TTBK2PTK2HPGDS
SCHEMBL24804993 0.70 HDAC6 (0.66) HDAC6TTBK1TTBK2PTK2

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 13 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
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
CN-103288835-A Inhibitors of E1 activating enzyme MILLENNIUM PHARM INC 2013-09-11 CN disclosed
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENIUM 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
CN-101379061-A E1 activating enzyme inhibitor MILLENNIUM PHARM INC (US) 2009-03-04 CN 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 (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-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 HDAC6 2464/4885TTBK1 1174/4885TTBK2 2371/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 HDAC6 2464/4885TTBK1 1174/4885TTBK2 2371/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 HDAC6 2464/4885TTBK1 1174/4885TTBK2 2371/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 HDAC6 2464/4885TTBK1 1174/4885TTBK2 2371/4885
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 HDAC6 2464/4885TTBK1 1174/4885TTBK2 2371/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 HDAC6 2244/4885TTBK1 1206/4885TTBK2 2524/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 HDAC6 2464/4885TTBK1 1174/4885TTBK2 2371/4885

“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.