SCHEMBL1123683

SCHEMBL1123683

COC(=O)c1nnc2c(F)cccc2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
ADORA2A P29274 3/20 0.41
KDM4E B2RXH2 5/20 0.40
STAT3 P40763 1/20 0.40
HIF1A Q16665 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GPR139 Q6DWJ6 1/20 0.37
ALDH1A1 P00352 3/20 0.37
ALB P02768 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL12859393 0.84 ADORA2A (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1123893 0.83 ALB (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1123696 0.75 KDM4E (0.47) KDM4ESTAT3HIF1AALDH1A1KMT2A
SCHEMBL2222961 0.70 ADORA2A (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10735323 0.69 KDM4E (0.44) GABRG2GABRB3GABRA2KDM4EALDH1A1
SCHEMBL28055652 0.69 EGLN1 (0.44) KDM4ESTAT3HIF1AKMT2ANPSR1
SCHEMBL24174035 0.69 SSTR4 (0.43) ADORA2AKDM4ESTAT3HIF1AALDH1A1
SCHEMBL22492423 0.69 PSMD14 (0.68) ADORA2AKDM4EKMT2ANPSR1RAB9A
SCHEMBL20545378 0.69 AHR (0.46) ADORA2AKDM4ESTAT3HIF1AALDH1A1
SCHEMBL6080236 0.69 AURKA (0.41) ADORA2AALDH1A1ALBSMN1; SMN2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309552-B2 Immunomodulating heterocyclic compounds MEDIGENE AG (DE) 2012-11-13 US disclosed
US-8309552-B2 Immunomodulating heterocyclic compounds MEDIGENE AG (DE) 2012-11-13 US disclosed
US-8309552-B2 Immunomodulating heterocyclic compounds MEDIGENE AG (DE) 2012-11-13 US disclosed
EP-2284172-A1 Immunomodulating heterocyclic compounds MediGene Ltd. (GB) 2011-02-16 EP disclosed
EP-2284172-A1 Immunomodulating heterocyclic compounds MediGene Ltd. (GB) 2011-02-16 EP disclosed
EP-1603917-B1 IMMUNOMODULATING HETEROCYCLIC COMPOUNDS MEDIGENE LTD (GB) 2010-11-24 EP disclosed
EP-1603917-B1 IMMUNOMODULATING HETEROCYCLIC COMPOUNDS MEDIGENE LTD (GB) 2010-11-24 EP disclosed
US-20090312334-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2009-12-17 US disclosed
US-20090312334-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2009-12-17 US disclosed
US-20090312334-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2009-12-17 US disclosed
US-20080045527-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2008-02-21 US disclosed
US-20080045527-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2008-02-21 US disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 US disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 US disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
EP-1603917-A1 IMMUNOMODULATING HETEROCYCLIC COMPOUNDS Avidex Limited (GB) 2005-12-14 EP disclosed
WO-2004081011-A1 IMMUNOMODULATING HETEROCYCLIC COMPOUNDS AVIDEX LIMITED (GB) 2004-09-23 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 (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-20090312334-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR GABRA1 1044/4885GABRG2 1106/4885GABRB3 880/4885
US-20080045527-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR GABRA1 1044/4885GABRG2 1106/4885GABRB3 880/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR GABRA1 991/4885GABRG2 1103/4885GABRB3 864/4885

“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.