SCHEMBL7093049

SCHEMBL7093049

c1coc(-n2cccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.45
ADORA1 P30542 4/20 0.45
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 3/20 0.39
NPC1 O15118 1/20 0.39
TDO2 P48775 1/20 0.38
HTT P42858 3/20 0.36
CHRNA7 P36544 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4B O94953 1/20 0.34

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
SCHEMBL5239967 0.69 CYP2A6 (0.43) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL28990871 0.68
SCHEMBL978863 0.68
SCHEMBL16247101 0.68 ADORA2A (0.34) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL28456334 0.68 NPC1 (0.47) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL4341894 0.67 NOTUM (0.78) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL245183 0.67 KDM4E (0.39) ADORA2AADORA1NOTUMALDH1A1KDM4E
SCHEMBL1802262 0.66 MAPK1 (0.40) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL4341886 0.66 MAPK1 (0.67) ADORA2AADORA1NOTUMALDH1A1KDM4E
SCHEMBL5674957 0.65 CYP3A4 (0.48) NOTUMALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822925-B1 CF3O-CONTAINING ENAMINOKETONES AND THEIR UTILIZATION FOR THE PREPARATION OF CF3O-CONTAINING PYRAZOLES BAYER CROPSCIENCE AG (DE) 2018-09-05 EP disclosed
US-20170334948-A1 LIGANDS FOR ANTIBODY AND FC-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMOTOGRAPHY IV NOVALIX DEUTSCHLAND GMBH (DE) 2017-11-23 US disclosed
US-9745339-B2 Ligands for antibody and Fc-fusion protein purification by affinity chromotography IV NOVALIX DEUTSCHLAND GMBH (DE) 2017-08-29 US disclosed
US-20160009760-A1 LIGANDS FOR ANTIBODY AND FC-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMOTOGRAPHY IV GRAFFINITY PHARMACEUTICALS GMBH (DE) 2016-01-14 US disclosed
US-9096535-B2 CF3O-containing enaminoketones and their utilization for the preparation of CF3O-containing pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
CN-104395335-A Ligands for antibody and fc-fusion protein purification by affinity chromotography iv GRAFFINITY PHARMACEUTICALS GMBH 2015-03-04 CN disclosed
EP-2822925-A1 CF3O-CONTAINING ENAMINOKETONES AND THEIR UTILIZATION FOR THE PREPARATION OF CF3O-CONTAINING PYRAZOLES Bayer Intellectual Property GmbH (DE) 2015-01-14 EP disclosed
EP-2812346-A1 LIGANDS FOR ANTIBODY AND FC-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMOTOGRAPHY IV Graffinity Pharmaceuticals GmbH (DE) 2014-12-17 EP disclosed
WO-2014020152-A1 LIGANDS FOR APHERESIS AND IMMUNOABSORPTION GRAFFINITY PHARMACEUTICALS GMBH (DE) 2014-02-06 WO disclosed
WO-2013120876-A1 CF3O-containing enaminoketones and their utilization for the preparation of CF3O-containing pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-22 WO disclosed
EP-2628722-A1 CF3O-containing enaminoketones and their utilization for the preparation of CF3O-containing pyrazoles Bayer CropScience AG (DE) 2013-08-21 EP disclosed
WO-2013117707-A1 LIGANDS FOR ANTIBODY AND FC-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMOTOGRAPHY IV GRAFFINITY PHARMACEUTICALS GMBH (DE) 2013-08-15 WO disclosed
EP-1349552-A1 PYRAZOLO 3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-10-08 EP disclosed
WO-2002055082-A1 PYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 WO disclosed
US-4093812-A MICROBIOCIDES, DISINFECTANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1978-06-06 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 (2 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-20170334948-A1 LIGANDS FOR ANTIBODY AND FC-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMOTOGRAPHY IV FCGR1A, FCGR2A, FCGR3B ADORA2A 1234/4885ADORA1 1018/4885NOTUM 4805/4885
US-20160009760-A1 LIGANDS FOR ANTIBODY AND FC-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMOTOGRAPHY IV FCGR1A, FCGR2A, FCGR3B ADORA2A 1444/4885ADORA1 1180/4885NOTUM 4803/4885

“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.