SCHEMBL67930

SCHEMBL67930

C=CC(=O)Nc1ncnc2[nH]cnc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.39
JAK1 P23458 1/20 0.39
FYN P06241 6/20 0.38
SRC P12931 6/20 0.38
EGFR P00533 8/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
VCP P55072 3/20 0.37
PSMC4 P43686 1/20 0.37
ERBB2 P04626 1/20 0.37
ERBB4 Q15303 1/20 0.37
TGM2 P21980 1/20 0.35

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
SCHEMBL13759512 0.84 CYP1A2 (0.31) JAK3
SCHEMBL2623136 0.82 BRAF (0.36)
SCHEMBL19735835 0.82 BRD4 (0.33)
SCHEMBL21181331 0.80 BTK (0.44) JAK3JAK1FYNSRCEGFR
SCHEMBL29654971 0.80 BRD4 (0.40) EGFR
SCHEMBL22118770 0.80 BRD4 (0.40) EGFR
SCHEMBL5437606 0.80 MKNK1 (0.38) EGFR
SCHEMBL536914 0.79 BRAF (0.47) JAK3
SCHEMBL4905900 0.79 ATG4B (0.39)
SCHEMBL1398283 0.77 BRD4 (0.58)

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 66 patents — showing the first 20. 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
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-1964893-B2 Ink composition, inkjet recording method, printed material, and ink set FUJIFILM CORP (JP) 2021-11-24 EP 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
EP-2105478-B1 Inkjet recording method and inkjet recording system FUJIFILM CORP (JP) 2018-02-28 EP disclosed
EP-1964893-B1 Ink composition, inkjet recording method, printed material, and ink set FUJIFILM CORP (JP) 2018-01-24 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
WO-2017218802-A1 SELECTIVE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5) PRELUDE THERAPEUTICS, INCORPORATED (US) 2017-12-21 WO 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
EP-1964893-A1 Ink composition, inkjet recording method, printed material, and ink set FUJIFILM Corporation (JP) 2008-09-03 EP disclosed
US-20080206527-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, AND INK SET FUJIFILM CORPORATION (JP) 2008-08-28 US disclosed
US-20080206527-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, AND INK SET FUJIFILM CORPORATION (JP) 2008-08-28 US disclosed
US-20080075882-A1 PROCESS FOR PRODUCING MOLDED PRINTED MATERIAL, AND MOLDED PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2008-03-27 US disclosed
US-20080075882-A1 PROCESS FOR PRODUCING MOLDED PRINTED MATERIAL, AND MOLDED PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2008-03-27 US disclosed
US-20080075884-A1 radiation curing ink cures with high sensitivity to form a high quality, durable image resistant to cracking, peeling and has excellent impact resistance, flexibility, and adhesion; a polymerizable monomer and a polymerization initiator and comprising substantially no colorant FUJIFILM CORPORATION (JP) 2008-03-27 US disclosed
US-20080075884-A1 radiation curing ink cures with high sensitivity to form a high quality, durable image resistant to cracking, peeling and has excellent impact resistance, flexibility, and adhesion; a polymerizable monomer and a polymerization initiator and comprising substantially no colorant FUJIFILM CORPORATION (JP) 2008-03-27 US 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 JAK3 4695/4885JAK1 4455/4885FYN 2029/4885
US-20170360825-A1 Composition and Kits for Inhibition of Pathogenic Microbial Infection and Methods of Using the Same CUTA, MMP8, MMP1 JAK3 4694/4885JAK1 4448/4885FYN 2042/4885
US-11839626-B2 Composition and kits for inhibition of pathogenic microbial infection and methods of using the same CUTA, MMP8, MMP1 JAK3 4694/4885JAK1 4448/4885FYN 2042/4885

“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.