SCHEMBL6312608

SCHEMBL6312608

COc1cccc(CN2CCNC(=O)c3sc4ccc(Cl)cc4c32)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.46
MAPKAPK2 P49137 4/20 0.46
MAPT P10636 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PRKD1 Q15139 2/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIM1 P11309 1/20 0.41
MCHR1 Q99705 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 2/20 0.40
TSHR P16473 1/20 0.40
CMA1 P23946 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CCR2 P41597 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
SCHEMBL6314119 0.93 CDK1 (0.51) CDK1MAPKAPK2MAPTCYP2C9CYP2C19
SCHEMBL6320033 0.92 MAPKAPK2 (0.55) CDK1MAPKAPK2MAPTPRKD1ALDH1A1
SCHEMBL6312999 0.89 MAPT (0.57) MAPTCYP2C9CYP2C19ALDH1A1PIM1
SCHEMBL6318838 0.88 MAPKAPK2 (0.55) CDK1MAPKAPK2PRKD1ALDH1A1
SCHEMBL6320066 0.87 MAPKAPK2 (0.56) CDK1MAPKAPK2MAPTPRKD1ALDH1A1
SCHEMBL6311332 0.87 MAPT (0.47) MAPTCYP2C9CYP2C19ALDH1A1PIM1
SCHEMBL6311665 0.86 MAPKAPK2 (0.52) CDK1MAPKAPK2MAPTPRKD1ALDH1A1
SCHEMBL6318572 0.85 CDK1 (0.43) CDK1MAPKAPK2MAPTPRKD1ALDH1A1
SCHEMBL6320038 0.85 MAPKAPK2 (0.58) CDK1MAPKAPK2MAPTPRKD1ALDH1A1
SCHEMBL6311784 0.83 CDK1 (0.48) CDK1MAPKAPK2MAPTPRKD1ALDH1A1

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 3952/4885MAPT 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.