SCHEMBL6311730

SCHEMBL6311730

COc1ccc2sc3c(c2c1)N(Cc1cccnc1)CCNC3=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.51
CDK1 P06493 10/20 0.51
PRKD1 Q15139 2/20 0.48
KDM4E B2RXH2 1/20 0.43
GFER P55789 1/20 0.43
CFTR P13569 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRA5 P31644 1/20 0.41
CLK1 P49759 1/20 0.41
TNIK Q9UKE5 1/20 0.40
PTGER2 P43116 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 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
SCHEMBL6320066 0.89 MAPKAPK2 (0.56) MAPKAPK2CDK1PRKD1KDM4EMAPT
SCHEMBL6320033 0.88 MAPKAPK2 (0.55) MAPKAPK2CDK1PRKD1KDM4EMAPT
SCHEMBL6320038 0.87 MAPKAPK2 (0.58) MAPKAPK2CDK1PRKD1KDM4EMAPT
SCHEMBL6311665 0.86 MAPKAPK2 (0.52) MAPKAPK2CDK1PRKD1MEN1MAPT
SCHEMBL6314119 0.85 CDK1 (0.51) MAPKAPK2CDK1PRKD1MEN1MAPT
SCHEMBL6313364 0.84 MAPKAPK2 (0.55) MAPKAPK2CDK1PRKD1
SCHEMBL6318838 0.84 MAPKAPK2 (0.55) MAPKAPK2CDK1PRKD1MAPK1
SCHEMBL6311684 0.83 ALDH1A1 (0.43) KDM4EGFERGABRA1GABRA5CLK1
SCHEMBL6313881 0.83 MAPKAPK2 (0.60) MAPKAPK2CDK1PRKD1KDM4EMAPT
SCHEMBL6311784 0.83 CDK1 (0.48) MAPKAPK2CDK1PRKD1KDM4EMAPT

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.