SCHEMBL6084274

SCHEMBL6084274

CN(C)c1cc(Cl)c(-c2ccnc(OS(=O)(=O)C(F)(F)F)c2[N+](=O)[O-])cc1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.32
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL6082164 0.85 CCNT1 (0.36) PTGS2PTGS1PDE4APDE4CPDE4D
SCHEMBL6082905 0.81 CYP19A1 (0.40)
SCHEMBL6083735 0.81 PIK3CA (0.38) PTGS2PTGS1PDE4APDE4CPDE4D
SCHEMBL6082538 0.80 MEN1 (0.36) PTGS2PDE4APDE4CPDE4D
SCHEMBL6083004 0.79 KDM4E (0.36) PTGS2PTGS1PDE4APDE4CPDE4D
SCHEMBL6084013 0.79 SCN9A (0.41)
SCHEMBL6081906 0.77 CCNT1 (0.36) PTGS2PTGS1PDE4APDE4CPDE4D
SCHEMBL6084793 0.76 CCNT1 (0.34) PTGS2PDE4APDE4CPDE4D
SCHEMBL6103842 0.76 DAGLA (0.33) PDE4APDE4CPDE4D
SCHEMBL6082822 0.72 KDM5A (0.38) PDE4APDE4CPDE4D

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 PTGS2 1094/4885PTGS1 601/4885PDE4A 742/4885

“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.