SCHEMBL6319983

SCHEMBL6319983

COc1ccc2sc3c(c2c1)N(Cc1ccc([N+](=O)[O-])cc1)CCNC3=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.50
CDK1 P06493 7/20 0.50
PRKD1 Q15139 2/20 0.48
DRD4 P21917 1/20 0.45
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39

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
SCHEMBL6311784 0.91 CDK1 (0.48) MAPKAPK2CDK1PRKD1PIK3R1PIK3CA
SCHEMBL6320038 0.90 MAPKAPK2 (0.58) MAPKAPK2CDK1PRKD1MAPT
SCHEMBL6318572 0.88 CDK1 (0.43) MAPKAPK2CDK1PRKD1MAPTHTT
SCHEMBL6318838 0.88 MAPKAPK2 (0.55) MAPKAPK2CDK1PRKD1DRD4SMN1; SMN2
SCHEMBL6313364 0.88 MAPKAPK2 (0.55) MAPKAPK2CDK1PRKD1DRD4SMN1; SMN2
SCHEMBL6320066 0.86 MAPKAPK2 (0.56) MAPKAPK2CDK1PRKD1DRD4MAPT
SCHEMBL6320033 0.84 MAPKAPK2 (0.55) MAPKAPK2CDK1PRKD1MAPT
SCHEMBL6313536 0.84 KAT2B (0.45) SMN1; SMN2
SCHEMBL6314119 0.82 CDK1 (0.51) MAPKAPK2CDK1PRKD1DRD4MAPT
SCHEMBL6313881 0.82 MAPKAPK2 (0.60) MAPKAPK2CDK1PRKD1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US claimed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US claimed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 WO claimed
US-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US disclosed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US disclosed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 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-20050250765-A1 Diazepinones as antiviral agents ZC3HAV1, ECI1, ZC3HAV1L MAPKAPK2 3952/4885CDK1 274/4885PRKD1 3179/4885

“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.