SCHEMBL3352480

SCHEMBL3352480

N#Cn1cnc2cncnc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.40
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LTA4H P09960 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 4/20 0.33
CYP2C19 P33261 4/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
MEN1 O00255 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
USP2 O75604 2/20 0.32
CYP2D6 P10635 1/20 0.31
CLK4 Q9HAZ1 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
SCHEMBL26612321 0.81 FDPS (0.43) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL5724408 0.81 FDPS (0.43) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL6530814 0.74 FDPS (0.38) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL27773228 0.73 FDPS (0.37) FDPSHDAC1HDAC6LTA4HALDH1A1
Water SCHEMBL316719 0.72 FDPS (0.41) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL28340215 0.71 FDPS (0.44) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL6690696 0.70 FDPS (0.48) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL29108608 0.70 FDPS (0.35) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL7787139 0.69 FDPS (0.42) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL840562 0.69 FDPS (0.46) FDPSHDAC1HDAC6LTA4HALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828241-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF CATHEPSINS MATEON THERAPEUTICS INC (US) 2018-09-12 EP disclosed
US-9873668-B2 Compositions and methods for inhibition of cathepsins MATEON THERAPEUTICS, INC. (US) 2018-01-23 US disclosed
CN-106543179-A The synthetic method of 4 hydroxyl of medical body, 3 methyl mercapto purine, 5 nitrile 无锡乾浩生物医药有限公司 2017-03-29 CN disclosed
CN-106496228-A The synthetic method of 2,5 dichloro of medical material, 6 ethyl, 5 purine formonitrile HCN 无锡乾浩生物医药有限公司 2017-03-15 CN disclosed
CN-106496228-A The synthetic method of 2,5 dichloro of medical material, 6 ethyl, 5 purine formonitrile HCN 无锡乾浩生物医药有限公司 2017-03-15 CN disclosed
US-20160368869-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CATHEPSINS BAYLOR UNIVERSITY 2016-12-22 US disclosed
US-9458103-B2 Compositions and methods for inhibition of cathepsins MATEON THERAPEUTICS, INC. (US) 2016-10-04 US disclosed
US-20150031915-A1 Compositions and Methods for Inhibition of Cathepsins MATEON THERAPEUTICS, INC. 2015-01-29 US disclosed
EP-2828241-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF CATHEPSINS Oxigene, Inc. (US) 2015-01-28 EP disclosed
US-8877967-B2 Compositions and methods for inhibition of cathepsins OXIGENE, INC. (US) 2014-11-04 US disclosed
US-20130296605-A1 Compositions and Methods for Inhibition of Cathepsins MATEON THERAPEUTICS, INC. 2013-11-07 US disclosed
WO-2013142038-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF CATHEPSINS OXIGENE, INC. (US) 2013-09-26 WO disclosed
WO-2010059418-A1 SUBSTITUTED TRIAZINE AND PURINE COMPOUNDS, METHODS OF INHIBITING CRUZAIN AND RHODESAIN AND METHODS OF TREATING CHAGAS DISEASE AND AFRICAN TRYPANOSOMIASIS THE GOVERNMENT OF THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES (US) 2010-05-27 WO disclosed
US-7381714-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1883646-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-02-06 EP disclosed
US-20060276428-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-07 US disclosed
WO-2006125190-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 WO 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 (4 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-20150031915-A1 Compositions and Methods for Inhibition of Cathepsins CTSF, CTSS, CTSZ FDPS 2642/4885HDAC1 352/4885HDAC6 179/4885
US-20130296605-A1 Compositions and Methods for Inhibition of Cathepsins CTSF, CTSS, CTSZ FDPS 2642/4885HDAC1 352/4885HDAC6 179/4885
US-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 FDPS 1487/4885HDAC1 4064/4885HDAC6 4797/4885
US-20160368869-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CATHEPSINS CTSF, CTSS, CTSZ FDPS 2642/4885HDAC1 352/4885HDAC6 179/4885

“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.