SCHEMBL6313864

SCHEMBL6313864

COc1ccc2sc3c(c2c1)N(CC(C)C)CCN(C)C3=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 10/20 0.41
CDK1 P06493 9/20 0.41
PRKD1 Q15139 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ICAM1 P05362 2/20 0.36
SELE P16581 2/20 0.36
VCAM1 P19320 1/20 0.36
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
CYP1A2 P05177 1/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 1/20 0.35
NCOA2 Q15596 1/20 0.35

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
SCHEMBL6320256 0.87 MAPKAPK2 (0.43) MAPKAPK2CDK1PRKD1L3MBTL1TDP1
SCHEMBL6312783 0.85 MAPKAPK2 (0.49) MAPKAPK2CDK1PRKD1L3MBTL1TDP1
SCHEMBL6319365 0.84 MAPKAPK2 (0.43) MAPKAPK2CDK1PRKD1L3MBTL1TDP1
SCHEMBL6312286 0.83 MAPKAPK2 (0.40) MAPKAPK2CDK1PRKD1L3MBTL1TDP1
SCHEMBL6314257 0.82 MAPKAPK2 (0.57) MAPKAPK2CDK1PRKD1L3MBTL1TDP1
SCHEMBL6320565 0.79 PIK3R1 (0.40) MAPKAPK2CDK1PRKD1ALDH1A1MAPT
SCHEMBL6312961 0.76 MAPKAPK2 (0.46) MAPKAPK2CDK1PRKD1L3MBTL1TDP1
SCHEMBL6318665 0.75 MAPKAPK2 (0.42) MAPKAPK2CDK1PRKD1L3MBTL1TDP1
SCHEMBL6312661 0.74 MAPKAPK2 (0.55) MAPKAPK2CDK1PRKD1L3MBTL1TDP1
SCHEMBL6313342 0.72 MAPKAPK2 (0.40) MAPKAPK2CDK1PRKD1L3MBTL1TDP1

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 5 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
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 MAPKAPK2 3952/4885CDK1 274/4885PRKD1 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.