SCHEMBL353198

SCHEMBL353198

O=C(O)c1cc2cncnc2nc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
ASPH Q12797 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KDM8 Q8N371 1/20 0.33
ERN1 O75460 1/20 0.32
PIK3CG P48736 1/20 0.32
MAOA P21397 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32

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
SCHEMBL29656626 0.76 PIK3CG (0.36) PIK3CG
SCHEMBL29755421 0.74 CNR2 (0.41) KDM4EHPGDMEN1ALDH1A1KMT2A
SCHEMBL24253523 0.73 PIK3CG (0.34) PIK3CG
SCHEMBL24868660 0.73 PIK3CG (0.34) PIK3CG
SCHEMBL352470 0.72 KDM4E (0.53) KDM4EGPR35GRIN2DGRIN2AGRIN2B
SCHEMBL24253697 0.72 PIK3CG (0.32) PIK3CGGABRPGABRDGABRA1GABRB1
SCHEMBL29656527 0.71 MGAM (0.47) HCAR2KDM4EGABRPGABRDGABRA1
SCHEMBL1650336 0.71 MGAM (0.47) HCAR2KDM4EGABRPGABRDGABRA1
SCHEMBL2575802 0.71 HCAR2 (0.44) HCAR2ASPHKDM4EKDM8ERN1
SCHEMBL24248632 0.69 PIK3CG (0.32) PIK3CGCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP disclosed
US-8629164-B2 Inhibitors of NF-κB PROFECTUS BIOSCIENCES, INC. (US) 2014-01-14 US disclosed
EP-2411376-A1 INHIBITORS OF NF-KB Profectus Biosciences, Inc. (US) 2012-02-01 EP disclosed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US disclosed
WO-2010111460-A1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2010-09-30 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 (1 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-20120015952-A1 Inhibitors of NF-KB NFKBIA, IKBKB, IKBKG HCAR2 2564/4885ASPH 3392/4885KDM4E 1244/4885

“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.