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
SCHEMBL5437606 0.80 MKNK1 (0.38) EGFR
SCHEMBL29654971 0.80 BRD4 (0.40) EGFR
SCHEMBL22118770 0.80 BRD4 (0.40) 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.

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