SCHEMBL1398291

SCHEMBL1398291

C=CC(=O)Nc1nc2[nH]cnc2c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.42
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TGM2 P21980 4/20 0.33
PNP P00491 1/20 0.33
BTK Q06187 4/20 0.32
ITK Q08881 3/20 0.32
JAK3 P52333 2/20 0.32
RET P07949 1/20 0.32
FGFR1 P11362 1/20 0.32
LTK P29376 1/20 0.32
GRK5 P34947 1/20 0.32
MAP4K2 Q12851 1/20 0.32
STK33 Q9BYT3 1/20 0.32
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
PTPN1 P18031 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
SCHEMBL219477 0.81 GDA (0.62) GDAKDM4EGAAALDH1A1HPGD
SCHEMBL1398292 0.79 GDA (0.68) GDAPNP
SCHEMBL12227604 0.77 GDA (0.45) GDAKDM4EGAAALDH1A1HPGD
SCHEMBL442818 0.77 NOS1 (0.45) GDAKDM4EGAAALDH1A1HPGD
SCHEMBL16573451 0.77 SMN1; SMN2 (0.59) GDAKDM4EGAAALDH1A1HPGD
SCHEMBL14260671 0.77 GDA (0.39) GDAKDM4EGAAALDH1A1HPGD
SCHEMBL732552 0.75 KDM4E (0.51) GDAKDM4EALDH1A1PNPFGFR1
SCHEMBL1425017 0.75 ADORA2A (0.52) KDM4ESMN1; SMN2LMNA
Guanine SCHEMBL16653667 0.74 KDM4E (0.48) KDM4EALDH1A1PNPLMNA
SCHEMBL9020532 0.74 TYMS (0.39) GDAKDM4EALDH1A1PNPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2764065-B1 SACRIFICIAL ADHESIVE COATINGS ROCHAL IND LLC (US) 2017-03-22 EP claimed
EP-2764065-A1 SACRIFICIAL ADHESIVE COATINGS Rochal Industries, LLP (US) 2014-08-13 EP claimed
WO-2013052276-A1 SACRIFICIAL ADHESIVE COATINGS ROCHAL INDUSTRIES, LLP (US) 2013-04-11 WO claimed
US-8263720-B1 Sacrificial adhesive coatings ROCHAL INDUSTRIES, LLP (US) 2012-09-11 US claimed
US-11839626-B2 Composition and kits for inhibition of pathogenic microbial infection and methods of using the same ROCHAL TECHNOLOGIES LLC (US) 2023-12-12 US disclosed
EP-3220741-B1 COMPOSITION AND KITS FOR INHIBITION OF PATHOGENIC MICROBIAL INFECTION AND METHODS OF USING THE SAME ROCHAL IND LLC (US) 2021-02-24 EP disclosed
US-20170360825-A1 Composition and Kits for Inhibition of Pathogenic Microbial Infection and Methods of Using the Same ROCHAL INDUSTRIES, LLC (US) 2017-12-21 US disclosed
EP-3220741-A1 COMPOSITION AND KITS FOR INHIBITION OF PATHOGENIC MICROBIAL INFECTION AND METHODS OF USING THE SAME Rochal Industries, LLC (US) 2017-09-27 EP disclosed
EP-2764065-B1 SACRIFICIAL ADHESIVE COATINGS ROCHAL IND LLC (US) 2017-03-22 EP disclosed
US-20160095876-A1 COMPOSITION AND KITS FOR INHIBITION OF PATHOGENIC MICROBIAL INFECTION AND METHODS OF USING THE SAME CRG SERVICING LLC 2016-04-07 US disclosed
WO-2016054021-A1 COMPOSITION AND KITS FOR INHIBITION OF PATHOGENIC MICROBIAL INFECTION AND METHODS OF USING THE SAME ROCHAL INDUSTRIES, LLC (US) 2016-04-07 WO disclosed
EP-2764065-A1 SACRIFICIAL ADHESIVE COATINGS Rochal Industries, LLP (US) 2014-08-13 EP disclosed
WO-2013052276-A1 SACRIFICIAL ADHESIVE COATINGS ROCHAL INDUSTRIES, LLP (US) 2013-04-11 WO disclosed
US-8263720-B1 Sacrificial adhesive coatings ROCHAL INDUSTRIES, LLP (US) 2012-09-11 US disclosed
EP-1968655-B1 CONFORMABLE BANDAGE AND COATING MATERIAL ROCHAL IND LLP (US) 2011-03-02 EP disclosed
US-7795326-B2 Solution of an amphiphilic copolymer of a nitrogen-containing monomer, such as N-isopropylacrylamide, and a siloxy monomer, preferably 3-(methacryloyloxy)propyltris(trimethylsiloxy)silane in non-stinging, volatile, siloxane, alkane, fluorocarbon, lor iquid or supercritical carbon dioxide; medical devices ROCHAL INDUSTRIES, LLP (US) 2010-09-14 US disclosed
EP-1968655-A2 CONFORMABLE BANDAGE AND COATING MATERIAL Rochal Industries, LLP (US) 2008-09-17 EP disclosed
WO-2007067866-A2 CONFORMABLE BANDAGE AND COATING MATERIAL ROCHAL INDUSTRIES, LLP (US) 2007-06-14 WO disclosed
US-20070129474-A1 Solution of an amphiphilic copolymer of a nitrogen-containing monomer, such as N-isopropylacrylamide, and a siloxy monomer, preferably 3-(methacryloyloxy)propyltris(trimethylsiloxy)silane in non-stinging, volatile, siloxane, alkane, fluorocarbon, lor iquid or supercritical carbon dioxide; medical devices ROCHAL INDUSTRIES, LLP. (US) 2007-06-07 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 (3 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-20160095876-A1 COMPOSITION AND KITS FOR INHIBITION OF PATHOGENIC MICROBIAL INFECTION AND METHODS OF USING THE SAME CUTA, MMP8, MMP1 GDA 3242/4885KDM4E 4848/4885GAA 1927/4885
US-20170360825-A1 Composition and Kits for Inhibition of Pathogenic Microbial Infection and Methods of Using the Same CUTA, MMP8, MMP1 GDA 3244/4885KDM4E 4848/4885GAA 1914/4885
US-11839626-B2 Composition and kits for inhibition of pathogenic microbial infection and methods of using the same CUTA, MMP8, MMP1 GDA 3244/4885KDM4E 4848/4885GAA 1914/4885

“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.