SCHEMBL1398283

SCHEMBL1398283

C=CC(=O)Nc1ncnc2nc[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.58
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ NT5C2 P49902 2/20 0.53
▸ BRAF P15056 2/20 0.52
▸ NT5E P21589 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ TOP2A P11388 1/20 0.50
▸ CREBBP Q92793 1/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ HIF1A Q16665 1/20 0.49

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
SCHEMBL22118772 0.81 BRD4 (0.68) BRD4NPC1RAB9ANT5C2BRAF
SCHEMBL8660442 0.81 EGFR (0.47) BRD4BRAF
SCHEMBL29475418 0.80 BRAF (0.72) BRD4NPC1RAB9ANT5C2BRAF
SCHEMBL536913 0.80 BRAF (0.72) BRD4NPC1RAB9ANT5C2BRAF
SCHEMBL5437612 0.80 BRD4 (0.62) BRD4NPC1RAB9ANT5C2BRAF
SCHEMBL28669706 0.77 NPC1 (0.63) BRD4NPC1RAB9ANT5C2BRAF
SCHEMBL28828155 0.77 BRD4 (0.59) BRD4NPC1RAB9ANT5C2BRAF
SCHEMBL67930 0.77 JAK3 (0.39) —
SCHEMBL8720615 0.76 BRD4 (0.58) BRD4NPC1RAB9ANT5C2BRAF
SCHEMBL17362837 0.76 BRD4 (0.58) BRD4NPC1RAB9ANT5C2BRAF

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
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-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-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-7855285-B2 Methods for selective N-9 glycosylation of purines BRIGHAM YOUNG UNIVERSITY (US) 2010-12-21 — — US 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
US-20080207891-A1 Methods For Selective N-9 Glycosylation of Purines BRIGHAM YOUNG UNIVERSITY (US) 2008-08-28 — — US disclosed
EP-1895841-A2 METHODS FOR SELECTIVE N-9 GLYCOSYLATION OF PURINES Brigham Young University (US) 2008-03-12 — — 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
WO-2006138396-A2 METHODS FOR SELECTIVE N-9 GLYCOSYLATION OF PURINES BRIGHAM YOUNG UNIVERSITY, TRANSFER TECHNOLOGY OFFICE (US) 2006-12-28 — — 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-20160095876-A1 COMPOSITION AND KITS FOR INHIBITION OF PATHOGENIC MICROBIAL INFECTION AND METHODS OF USING THE SAME CUTA, MMP8, MMP1 BRD4 4803/4885NPC1 1625/4885RAB9A 1093/4885
US-20170360825-A1 Composition and Kits for Inhibition of Pathogenic Microbial Infection and Methods of Using the Same CUTA, MMP8, MMP1 BRD4 4804/4885NPC1 1631/4885RAB9A 1096/4885
US-20080207891-A1 Methods For Selective N-9 Glycosylation of Purines PNP, SLC29A2, SLC28A2 BRD4 4289/4885NPC1 1127/4885RAB9A 882/4885
US-11839626-B2 Composition and kits for inhibition of pathogenic microbial infection and methods of using the same CUTA, MMP8, MMP1 BRD4 4804/4885NPC1 1631/4885RAB9A 1096/4885

“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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