SCHEMBL570816

SCHEMBL570816

COc1ccc(-c2n[c]on2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.48
MAPT P10636 7/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
S1PR1 P21453 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
CASP3 P42574 2/20 0.42
XDH P47989 1/20 0.42
LMNA P02545 1/20 0.42
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL15553105 0.81 CYP1A1 (0.42) MAPTKDM4ETP53NPC1RAB9A
SCHEMBL5551741 0.80 DYRK1A (0.56) CLK4MAPTKDM4ETP53NPC1
SCHEMBL2207084 0.79 NPC1 (0.42) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL20657691 0.78 ACACB (0.54) MAPTKDM4ETP53NPC1RAB9A
SCHEMBL345937 0.75 NPC1 (0.39) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL30206 0.74 RAB9A (0.44) MAPTKDM4ETP53NPC1RAB9A
SCHEMBL20420869 0.72 CLK4 (0.55) CLK4MAPTKDM4ETP53NPC1
SCHEMBL22112581 0.71 MAPT (0.75) CLK4MAPTKDM4ETP53NPC1
SCHEMBL338452 0.71 CLK4 (0.64) CLK4MAPTKDM4ETP53NPC1
SCHEMBL5552048 0.70 S1PR1 (0.45) S1PR1CASP3LMNASIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541331-A Novel macrolides and ketolides with antimicrobial activity WOCKHARDT RESEARCH CENTER (IN) 2009-09-23 CN claimed
US-7304070-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-12-04 US claimed
US-20050101778-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2005-05-12 US claimed
US-20170152288-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY NOVALIX DEUTSCHLAND GMBH (DE) 2017-06-01 US disclosed
EP-2601208-B1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2015-02-11 EP disclosed
EP-2601208-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY Graffinity Pharmaceuticals GmbH (DE) 2013-06-12 EP disclosed
US-20130131321-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2013-05-23 US disclosed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
WO-2012017021-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-09 WO disclosed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP disclosed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US disclosed
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP disclosed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN 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-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs DDO, DAO, OTC CLK4 4448/4885MAPT 3890/4885KDM4E 2366/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 CLK4 4474/4885MAPT 4244/4885KDM4E 4126/4885
US-20170152288-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY FCGR1A, FCGR2A, FCGR3B CLK4 3037/4885MAPT 3285/4885KDM4E 2501/4885
US-20130131321-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY FCGR1A, FCGR2A, FCER2 CLK4 3498/4885MAPT 4614/4885KDM4E 2705/4885

“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.