SCHEMBL6310763

SCHEMBL6310763

C=C(C)CN1CCNC(=O)c2sc3ccc(F)cc3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 3/20 0.38
CRY2 Q49AN0 2/20 0.38
PRKD1 Q15139 4/20 0.36
CDK1 P06493 3/20 0.36
MAPKAPK2 P49137 3/20 0.36
PRKD3 O94806 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
SCN9A Q15858 3/20 0.34
TP53 P04637 2/20 0.33
SCN5A Q14524 2/20 0.33
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
DYRK1A Q13627 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
SCHEMBL6320041 0.87 PRKD1 (0.36) PRKD1CDK1MAPKAPK2PRKD3PRKD2
SCHEMBL6312257 0.85 MAPKAPK2 (0.55) PRKD1CDK1MAPKAPK2ALDH1A1MAPT
SCHEMBL6313859 0.85 PER2 (0.38) PER2CRY2PRKD1CDK1MAPKAPK2
SCHEMBL6320065 0.84 PDE7A (0.39) PER2PRKD1CDK1MAPKAPK2PRKD3
SCHEMBL6311672 0.84 PRKD1 (0.36) PRKD1CDK1MAPKAPK2PRKD3PRKD2
SCHEMBL6319901 0.84 PER2 (0.38) PER2CRY2PRKD1CDK1MAPKAPK2
SCHEMBL6319930 0.82 CDK1 (0.37) PER2CRY2PRKD1CDK1MAPKAPK2
SCHEMBL6312093 0.81 PER2 (0.37) PER2CRY2PRKD1CDK1MAPKAPK2
SCHEMBL6311127 0.81 POLB (0.44) PER2CRY2ALDH1A1POLBMAPT
SCHEMBL6312598 0.76 MAPKAPK2 (0.54) PRKD1CDK1MAPKAPK2ALDH1A1MAPT

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 PER2 1152/4885CRY2 3241/4885PRKD1 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.