SCHEMBL6314119

SCHEMBL6314119

COc1ccc2sc3c(c2c1)N(Cc1cccc(Cl)c1)CCNC3=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 10/20 0.51
MAPKAPK2 P49137 10/20 0.51
MAPT P10636 3/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PRKD1 Q15139 2/20 0.48
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PLA2G2A P14555 1/20 0.40

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
SCHEMBL6312608 0.93 CDK1 (0.46) CDK1MAPKAPK2MAPTCYP2C9CYP2C19
SCHEMBL6320033 0.92 MAPKAPK2 (0.55) CDK1MAPKAPK2MAPTPRKD1TP53
SCHEMBL6320066 0.91 MAPKAPK2 (0.56) CDK1MAPKAPK2MAPTPRKD1DRD2
SCHEMBL6318838 0.90 MAPKAPK2 (0.55) CDK1MAPKAPK2PRKD1DRD2DRD4
SCHEMBL6311665 0.90 MAPKAPK2 (0.52) CDK1MAPKAPK2MAPTPRKD1TP53
SCHEMBL6312999 0.89 MAPT (0.57) MAPTCYP2C9CYP2C19DRD2DRD3
SCHEMBL6320038 0.89 MAPKAPK2 (0.58) CDK1MAPKAPK2MAPTPRKD1ALDH1A1
SCHEMBL6313364 0.86 MAPKAPK2 (0.55) CDK1MAPKAPK2PRKD1DRD2DRD4
SCHEMBL6311784 0.86 CDK1 (0.48) CDK1MAPKAPK2MAPTPRKD1ALDH1A1
SCHEMBL6314107 0.85 MAPKAPK2 (0.51) CDK1MAPKAPK2MAPTPRKD1DRD2

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.