SCHEMBL2392457

SCHEMBL2392457

CC(C)(C)OC(=O)Nc1cccnc1O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.56
NAMPT P43490 2/20 0.45
ATR Q13535 1/20 0.44
TDP2 O95551 1/20 0.43
BRD9 Q9H8M2 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
CYP17A1 P05093 3/20 0.41
RAB9A P51151 1/20 0.41
BRD4 O60885 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3243855 0.84 METAP1 (0.56) METAP1NAMPTATRTDP2BRD9
SCHEMBL6868944 0.84 METAP1 (0.56) METAP1NAMPTATRTDP2BRD9
SCHEMBL30668778 0.84 METAP1 (0.56) METAP1NAMPTATRTDP2BRD9
SCHEMBL15266282 0.84 METAP1 (0.56) METAP1NAMPTATRTDP2BRD9
SCHEMBL12567761 0.83 HPGD (0.44) METAP1LMNAPOLBRAB9ABRD4
SCHEMBL393203 0.83 METAP1 (0.55) METAP1NAMPTATRTDP2BRD9
SCHEMBL21567565 0.83 METAP1 (0.55) METAP1NAMPTATRTDP2BRD9
SCHEMBL2363495 0.83 METAP1 (0.55) METAP1NAMPTATRTDP2BRD9
SCHEMBL1699207 0.83 ATR (0.56) METAP1ATRLMNAPOLBRAB9A
SCHEMBL1580424 0.83 METAP1 (0.55) METAP1NAMPTATRTDP2BRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311813-B Palladium-catalyzed meta-C-H functionalized universal ligands 斯克利普斯研究院 2023-02-28 CN disclosed
US-10696635-B2 Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates THE SCRIPPS RESEARCH INSTITUTE (US) 2020-06-30 US disclosed
US-20190119212-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 US disclosed
WO-2017184589-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-26 WO disclosed
EP-2086993-B1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2015-03-11 EP disclosed
US-8471063-B2 Michael systems as transglutaminase inhibitors ZEDIRA GMBH (DE) 2013-06-25 US disclosed
US-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2011-09-22 US disclosed
EP-2086993-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS Zedira GmbH (DE) 2009-08-12 EP disclosed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 WO disclosed
US-6514997-B2 Block the activity of picornaviral 3C protease AGOURON PHARMACEUTICALS, INC. 2003-02-04 US disclosed
EP-1252145-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2001-11-29 US disclosed
WO-2001040189-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 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-20190119212-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS AHR, PAH, DOHH METAP1 170/4885NAMPT 2121/4885ATR 3458/4885
US-10696635-B2 Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates PAH, AHR, DDC METAP1 171/4885NAMPT 2688/4885ATR 2778/4885
US-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis RNASE1, SERPINB1, RNASEH1 METAP1 147/4885NAMPT 2190/4885ATR 4771/4885
US-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS TGM2, TGM3, TGM1 METAP1 116/4885NAMPT 1652/4885ATR 3723/4885

“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.