SCHEMBL6082822

SCHEMBL6082822

COc1ccc(-c2ccnc(OS(=O)(=O)C(F)(F)F)c2[N+](=O)[O-])c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
DRD1 P21728 5/20 0.35
ALDH1A1 P00352 2/20 0.34
NPY1R P25929 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL6083004 0.89 KDM4E (0.36) ALDH1A1NPY1RPDE4APDE4CPDE4D
SCHEMBL6081906 0.84 CCNT1 (0.36) DRD1ALDH1A1PDE4APDE4CPDE4D
SCHEMBL6084793 0.83 CCNT1 (0.34) ALDH1A1PDE4APDE4CPDE4DMAPT
SCHEMBL6082538 0.81 MEN1 (0.36) PDE4APDE4CPDE4D
SCHEMBL6083735 0.78 PIK3CA (0.38) ALDH1A1NPY1RPDE4APDE4CPDE4D
SCHEMBL6082164 0.77 CCNT1 (0.36) ALDH1A1PDE4APDE4CPDE4DKDM4E
SCHEMBL6103842 0.77 DAGLA (0.33) PDE4APDE4CPDE4D
SCHEMBL6084013 0.76 SCN9A (0.41) MAPT
SCHEMBL6084274 0.72 PTGS2 (0.33) PDE4APDE4CPDE4D
SCHEMBL3546509 0.70 TRPA1 (0.52) CA1CA2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067658-B2 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-27 US disclosed
US-20040082784-A1 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-29 US disclosed
WO-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 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-20040082784-A1 Pyridino and pyrimidino pyrazinones CRHR1, CRHR2, CRH KDM5A 3415/4885KDM4C 3790/4885KDM5B 3456/4885

“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.