SCHEMBL6083735

SCHEMBL6083735

O=[N+]([O-])c1c(-c2ccc(Cl)cc2Cl)ccnc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
S1PR4 O95977 2/20 0.34
APEX1 P27695 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPBWR1 P48145 1/20 0.33
HSD11B1 P28845 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
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
SCHEMBL6084013 0.89 SCN9A (0.41) MAPTPTGDR2MEN1KMT2A
SCHEMBL6083004 0.87 KDM4E (0.36) PTGS1PTGS2PDE4APDE4CPDE4D
SCHEMBL6103842 0.86 DAGLA (0.33) PDE4APDE4CPDE4DMEN1KMT2A
SCHEMBL6082164 0.81 CCNT1 (0.36) PTGS1PTGS2PDE4APDE4CPDE4D
SCHEMBL6082538 0.81 MEN1 (0.36) PTGS2PDE4APDE4CPDE4DMEN1
SCHEMBL6084274 0.81 PTGS2 (0.33) PTGS1PTGS2PDE4APDE4CPDE4D
SCHEMBL6084793 0.79 CCNT1 (0.34) PTGS2PDE4APDE4CPDE4DS1PR4
SCHEMBL6082822 0.78 KDM5A (0.38) PDE4APDE4CPDE4DALDH1A1MAPT
SCHEMBL6082323 0.76 PIN1 (0.46) S1PR4MEN1KMT2A
SCHEMBL6082489 0.75 PIK3CA (0.46) PIK3CAPIK3CBPIK3CGTSHRMAPK1

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 PIK3CA 2342/4885PIK3CB 2815/4885PIK3CG 2992/4885

“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.