SCHEMBL6320033

SCHEMBL6320033

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.55
CDK1 P06493 10/20 0.55
PRKD1 Q15139 2/20 0.52
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CMA1 P23946 1/20 0.43
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6311665 0.93 MAPKAPK2 (0.52) MAPKAPK2CDK1PRKD1ALDH1A1L3MBTL1
SCHEMBL6320066 0.93 MAPKAPK2 (0.56) MAPKAPK2CDK1PRKD1ALDH1A1L3MBTL1
SCHEMBL6312608 0.92 CDK1 (0.46) MAPKAPK2CDK1PRKD1ALDH1A1L3MBTL1
SCHEMBL6314119 0.92 CDK1 (0.51) MAPKAPK2CDK1PRKD1ALDH1A1LMNA
SCHEMBL6320038 0.91 MAPKAPK2 (0.58) MAPKAPK2CDK1PRKD1ALDH1A1L3MBTL1
SCHEMBL6311784 0.90 CDK1 (0.48) MAPKAPK2CDK1PRKD1ALDH1A1KDM4E
SCHEMBL6318572 0.89 CDK1 (0.43) MAPKAPK2CDK1PRKD1ALDH1A1L3MBTL1
SCHEMBL6311730 0.88 MAPKAPK2 (0.51) MAPKAPK2CDK1PRKD1KDM4ETP53
SCHEMBL6313364 0.88 MAPKAPK2 (0.55) MAPKAPK2CDK1PRKD1
SCHEMBL6318838 0.88 MAPKAPK2 (0.55) MAPKAPK2CDK1PRKD1ALDH1A1LMNA

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 8 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
EP-1601674-A2 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO 4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-07 EP disclosed
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-2004022558-A2 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO 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.