SCHEMBL1123893

SCHEMBL1123893

O=C(O)c1nnc2c(F)cccc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.46
AURKA O14965 1/20 0.39
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
PARP1 P09874 1/20 0.37
DYRK1A Q13627 2/20 0.36
TTR P02766 1/20 0.36
KDM4E B2RXH2 2/20 0.36
KDM4A O75164 1/20 0.36
RAB9A P51151 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
HIF1AN Q9NWT6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GRM2 Q14416 1/20 0.35
ERN1 O75460 1/20 0.34
P2RX3 P56373 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK3 O43781 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
SCHEMBL1123683 0.83 GABRA1 (0.41) ALBADORA2AKDM4ERAB9AERN1
SCHEMBL6913524 0.81 KDM4E (0.41) DYRK1ATTRKDM4EKDM4ARAB9A
SCHEMBL10735323 0.81 KDM4E (0.44) PARP1KDM4ERAB9AP2RX3KMT2A
Water SCHEMBL2493601 0.80 HAVCR2 (0.43) AURKAPARP1DYRK1ATTRKDM4E
SCHEMBL6080236 0.78 AURKA (0.41) ALBAURKAADORA2AADORA1DYRK1A
SCHEMBL27656249 0.75 ALB (0.44) ALBPARP1DYRK1ATTRKDM4E
SCHEMBL15288133 0.73 BTK (0.57) ADORA2AADORA1GRM2GABRA1GABRG2
SCHEMBL6198659 0.73 ALB (0.51) ALBAURKAPARP1DYRK1AKDM4E
SCHEMBL7706331 0.73 LCK (0.51) DYRK1AKDM4EKMT2ADYRK2DYRK1B
SCHEMBL31371878 0.73 LCK (0.51) DYRK1AKDM4EKMT2ADYRK2DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7598247-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2009-10-06 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-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 ALB 2932/4885AURKA 1944/4885ADORA2A 1595/4885
US-20080045527-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR ALB 2932/4885AURKA 1944/4885ADORA2A 1595/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR ALB 2790/4885AURKA 1852/4885ADORA2A 1634/4885

“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.