SCHEMBL6313843

SCHEMBL6313843

C=CCN1CCNC(=O)c2sc3ccc(Cl)cc3c21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.36
PIM2 Q9P1W9 6/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
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
KDM4E B2RXH2 1/20 0.34
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL6320340 0.88 PIM1 (0.37) PIM1PIM2MAPTCYP2C9CYP2C19
SCHEMBL6319901 0.86 PER2 (0.38) MAPTPRKD1CDK1MAPKAPK2PRKD3
SCHEMBL6311332 0.84 MAPT (0.47) PIM1PIM2MAPTCYP2C9CYP2C19
SCHEMBL6320041 0.84 PRKD1 (0.36) PIM1PIM2MAPTCYP2C9CYP2C19
SCHEMBL6312553 0.84 MAPKAPK2 (0.57) MAPTPRKD1CDK1MAPKAPK2KDM4E
SCHEMBL6311194 0.83 MAPT (0.37) MAPTPRKD1CDK1MAPKAPK2PRKD3
SCHEMBL6312417 0.82 CDK1 (0.37) PIM1PIM2MAPTCYP2C9CYP2C19
SCHEMBL6312999 0.82 MAPT (0.57) PIM1PIM2MAPTCYP2C9CYP2C19
SCHEMBL6312660 0.79 ALDH1A1 (0.51) PIM1PIM2MAPTCYP2C9CYP2C19
SCHEMBL6312608 0.77 CDK1 (0.46) PIM1MAPTCYP2C9CYP2C19PRKD1

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 PIM1 3251/4885PIM2 4036/4885MAPT 2154/4885

“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.