SCHEMBL6083004

SCHEMBL6083004

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
S1PR4 O95977 1/20 0.36
NPY1R P25929 1/20 0.34
SCN9A Q15858 1/20 0.33
PIN1 Q13526 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TEK Q02763 1/20 0.33
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
CDC7 O00311 1/20 0.32
CCNT1 O60563 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
CDK9 P50750 1/20 0.32
CSNK2B P67870 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
SCHEMBL6082822 0.89 KDM5A (0.38) KDM4EALDH1A1MAPTNPY1RPDE4A
SCHEMBL6103842 0.88 DAGLA (0.33) SCN9APDE4APDE4CPDE4D
SCHEMBL6083735 0.87 PIK3CA (0.38) KDM4EALDH1A1MAPTS1PR4NPY1R
SCHEMBL6084013 0.85 SCN9A (0.41) MAPTSCN9A
SCHEMBL6082164 0.84 CCNT1 (0.36) KDM4EALDH1A1SCN9ACCNT1CDK9
SCHEMBL6082538 0.84 MEN1 (0.36) SCN9ACCNT1CDK9PDE4APDE4C
SCHEMBL6084793 0.82 CCNT1 (0.34) ALDH1A1MAPTS1PR4SCN9ACCNT1
SCHEMBL6084274 0.79 PTGS2 (0.33) PDE4APDE4CPDE4DPTGS1PTGS2
SCHEMBL6082553 0.78 TLR8 (0.44) KDM4EALDH1A1MAPTS1PR4PIN1
SCHEMBL6081906 0.77 CCNT1 (0.36) KDM4EALDH1A1SCN9ACCNT1CDK9

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 KDM4E 3881/4885ALDH1A1 882/4885MAPT 3711/4885

“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.