SCHEMBL3704069

SCHEMBL3704069

O=C(O)c1cn2cc(-c3ccco3)cc(C(F)(F)F)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.46
KDM4E B2RXH2 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
CFTR P13569 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
KEAP1 Q14145 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL3684061 0.83 LDHA (0.43) KDM4EMAPTPOLBALDH1A1RXFP1
SCHEMBL1583795 0.80 ERN1 (0.43) KDM4EPOLBALDH1A1RXFP1
SCHEMBL7486958 0.80 HTT (0.47) ADORA2AKDM4EMEN1KMT2AMAPT
SCHEMBL3698746 0.79 ALDH1A1 (0.40) ADORA2AKDM4ECFTRMEN1KMT2A
SCHEMBL3698748 0.78 ALDH1A1 (0.40) ADORA2AKDM4ECFTRMEN1KMT2A
SCHEMBL3690751 0.78 EGLN1 (0.45) KDM4EALDH1A1RXFP1EGLN1
SCHEMBL3792019 0.77 RXFP1 (0.42) RXFP1
SCHEMBL1583694 0.76 KDM4E (0.41) ADORA2AKDM4ETDP1CFTRMEN1
SCHEMBL3697635 0.76 KDM4E (0.41) ADORA2AKDM4ETDP1CFTRMEN1
SCHEMBL3691623 0.76 ADORA3 (0.42) ADORA2AKDM4ECFTRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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 (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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 ADORA2A 1016/4885KDM4E 2131/4885TDP1 3518/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 ADORA2A 1016/4885KDM4E 2131/4885TDP1 3518/4885

“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.