SCHEMBL6313859

SCHEMBL6313859

CC(C)=CCN1CCNC(=O)c2sc3ccc(F)cc3c21

nearest known ligand 0.38

Predicted protein targets (top 16)

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
ICMT O60725 2/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
PIM1 P11309 2/20 0.32
SCN9A Q15858 1/20 0.32
TMEM97 Q5BJF2 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
SCHEMBL6319901 0.88 PER2 (0.38) PER2CRY2PRKD1CDK1MAPKAPK2
SCHEMBL6320340 0.87 PIM1 (0.37) PRKD1CDK1MAPKAPK2PRKD3PRKD2
SCHEMBL6311611 0.85 MAPKAPK2 (0.55) PRKD1CDK1MAPKAPK2ALDH1A1MAPT
SCHEMBL6310763 0.85 PER2 (0.38) PER2CRY2PRKD1CDK1MAPKAPK2
SCHEMBL6313431 0.84 PRKD1 (0.36) PRKD1CDK1MAPKAPK2PRKD3PRKD2
SCHEMBL6319967 0.84 MAPKAPK2 (0.43) PRKD1CDK1MAPKAPK2PRKD3PRKD2
SCHEMBL6319930 0.82 CDK1 (0.37) PER2CRY2PRKD1CDK1MAPKAPK2
SCHEMBL6312093 0.81 PER2 (0.37) PER2CRY2PRKD1CDK1MAPKAPK2
SCHEMBL6311127 0.81 POLB (0.44) PER2CRY2ALDH1A1POLBMAPT
SCHEMBL6313843 0.75 PIM1 (0.36) PRKD1CDK1MAPKAPK2PRKD3PRKD2

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.