SCHEMBL6318838

SCHEMBL6318838

COc1ccc2sc3c(c2c1)N(Cc1ccc(Cl)cc1)CCNC3=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 13/20 0.55
CDK1 P06493 12/20 0.55
PRKD1 Q15139 2/20 0.52
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL6320038 0.95 MAPKAPK2 (0.58) MAPKAPK2CDK1PRKD1GAAALDH1A1
SCHEMBL6313364 0.92 MAPKAPK2 (0.55) MAPKAPK2CDK1PRKD1DRD2DRD4
SCHEMBL6320066 0.91 MAPKAPK2 (0.56) MAPKAPK2CDK1PRKD1DRD2DRD4
SCHEMBL6314119 0.90 CDK1 (0.51) MAPKAPK2CDK1PRKD1DRD2DRD4
SCHEMBL6312608 0.88 CDK1 (0.46) MAPKAPK2CDK1PRKD1ALDH1A1
SCHEMBL6320033 0.88 MAPKAPK2 (0.55) MAPKAPK2CDK1PRKD1ALDH1A1LMNA
SCHEMBL6319983 0.88 MAPKAPK2 (0.50) MAPKAPK2CDK1PRKD1DRD4SMN1; SMN2
SCHEMBL6314107 0.86 MAPKAPK2 (0.51) MAPKAPK2CDK1PRKD1DRD2DRD4
SCHEMBL6313881 0.86 MAPKAPK2 (0.60) MAPKAPK2CDK1PRKD1ALDH1A1
SCHEMBL6311665 0.85 MAPKAPK2 (0.52) MAPKAPK2CDK1PRKD1GAAALDH1A1

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 5 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
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.