SCHEMBL6778035

SCHEMBL6778035

O=C(O)c1c[nH]c2ccncc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
CYP1A2 P05177 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.46
CSNK2A2 P19784 3/20 0.45
CSNK2B P67870 3/20 0.45
CSNK2A1 P68400 3/20 0.45
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
TET2 Q6N021 1/20 0.45
TET1 Q8NFU7 1/20 0.45
NAMPT P43490 1/20 0.44
HASPIN Q8TF76 1/20 0.43
HTR6 P50406 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL2817519 0.90 NAMPT (0.51) KDM4ECYP1A2HSD17B10ALDH1A1MEN1
SCHEMBL2833860 0.87 CYP1A2 (0.51) KDM4ECYP1A2HSD17B10HPGDALDH1A1
SCHEMBL2052704 0.80 DYRK1A (0.51) KDM4EALDH1A1MEN1KMT2AF7
SCHEMBL30101234 0.80 DYRK1A (0.51) KDM4EALDH1A1MEN1KMT2AF7
Pyrazine SCHEMBL10716045 0.79 CFTR (0.58) KDM4ECYP1A2HSD17B10HPGDALDH1A1
SCHEMBL369404 0.79 CYP2C19 (0.48) MEN1KMT2AF7F3NAMPT
SCHEMBL1666100 0.79 GABRA1 (0.63) KDM4ECYP1A2HSD17B10HPGDALDH1A1
SCHEMBL2838055 0.78 CFTR (0.47) ALDH1A1MEN1KMT2AHTTNAMPT
SCHEMBL22049722 0.77 ALDH1A1 (0.59) KDM4EALDH1A1HTTNAMPTHASPIN
SCHEMBL12481581 0.77 HASPIN (0.64) KDM4EHSD17B10NAMPTHASPINHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 EP claimed
US-20030181719-A1 Novel heterocyclic antibacterial compounds MICROBIOTIX, INC. 2003-09-25 US claimed
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 EP disclosed
EP-1401829-A4 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2004-10-27 EP disclosed
US-6777420-B2 A URACIL COMPOUNDS AS ENZYME INHIBITORS, INHIBIT BACTERIAL DNA POLYMERASE, TREATING BACTERIAL DISEASES MICROBIOTIX, INC. 2004-08-17 US disclosed
EP-1401829-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS Microbiotix, Inc. (US) 2004-03-31 EP disclosed
US-20030181719-A1 Novel heterocyclic antibacterial compounds MICROBIOTIX, INC. 2003-09-25 US disclosed
WO-2002102792-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX, INC. (US) 2002-12-27 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-20030181719-A1 Novel heterocyclic antibacterial compounds TOP1, TOP2A, TOP2B KDM4E 2689/4885CYP1A2 760/4885HSD17B10 876/4885

“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.