SCHEMBL6312417

SCHEMBL6312417

CCCCN1CCNC(=O)c2sc3ccc(Cl)cc3c21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.37
MAPKAPK2 P49137 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIM1 P11309 3/20 0.35
PIM2 Q9P1W9 3/20 0.35
MAPT P10636 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PRKD1 Q15139 3/20 0.35
ROCK1 Q13464 1/20 0.34
PRKD3 O94806 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34

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
SCHEMBL6319930 0.87 CDK1 (0.37) CDK1MAPKAPK2MEN1KMT2APIM1
SCHEMBL6315169 0.85 MAPKAPK2 (0.56) CDK1MAPKAPK2MAPTPRKD1
SCHEMBL6311758 0.84 MAPKAPK2 (0.44) CDK1MAPKAPK2MEN1KMT2AMAPT
SCHEMBL6311862 0.83 MAPT (0.40) CDK1MAPKAPK2MEN1KMT2AMAPT
SCHEMBL6311332 0.82 MAPT (0.47) MEN1KMT2APIM1PIM2MAPT
SCHEMBL6313843 0.82 PIM1 (0.36) CDK1MAPKAPK2PIM1PIM2MAPT
SCHEMBL6320041 0.82 PRKD1 (0.36) CDK1MAPKAPK2PIM1PIM2MAPT
SCHEMBL6320340 0.82 PIM1 (0.37) CDK1MAPKAPK2PIM1PIM2MAPT
SCHEMBL6312999 0.80 MAPT (0.57) MEN1KMT2APIM1PIM2MAPT
SCHEMBL6314267 0.78 MAPKAPK2 (0.58) CDK1MAPKAPK2MAPTPRKD1

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 CDK1 274/4885MAPKAPK2 3952/4885MEN1 1259/4885

“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.