SCHEMBL6084793

SCHEMBL6084793

COc1cc(C)c(-c2ccnc(OS(=O)(=O)C(F)(F)F)c2[N+](=O)[O-])cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.34
CDK9 P50750 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 4/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 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
SCHEMBL6081906 0.89 CCNT1 (0.36) CCNT1CDK9PDE4APDE4CPDE4D
SCHEMBL6082538 0.88 MEN1 (0.36) CCNT1CDK9SMN1; SMN2PDE4APDE4C
SCHEMBL6082164 0.84 CCNT1 (0.36) CCNT1CDK9PDE4APDE4CPDE4D
SCHEMBL6082822 0.83 KDM5A (0.38) PDE4APDE4CPDE4DMAPTALDH1A1
SCHEMBL6083004 0.82 KDM4E (0.36) CCNT1CDK9PDE4APDE4CPDE4D
SCHEMBL6083735 0.79 PIK3CA (0.38) PDE4APDE4CPDE4DMEN1KMT2A
SCHEMBL6082406 0.79 CYP19A1 (0.43) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL6084013 0.78 SCN9A (0.41) MEN1KMT2AMAPTSCN9A
SCHEMBL6084274 0.76 PTGS2 (0.33) PDE4APDE4CPDE4DPTGS2
SCHEMBL6103842 0.74 DAGLA (0.33) PDE4APDE4CPDE4DMEN1KMT2A

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 CCNT1 681/4885CDK9 1124/4885SMN1; SMN2 3700/4885

“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.