SCHEMBL6313340

SCHEMBL6313340

O=C1NCCNc2c1sc1ccc(Cl)cc21

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.64
CDK1 P06493 8/20 0.64
PRKD1 Q15139 5/20 0.44
PRKD3 O94806 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ROCK1 Q13464 3/20 0.41
F7 P08709 1/20 0.40
PARP1 P09874 1/20 0.40
F3 P13726 1/20 0.40
PARP10 Q53GL7 1/20 0.40
CMA1 P23946 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38

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
SCHEMBL15472007 0.82 MAPKAPK2 (0.68) MAPKAPK2CDK1PRKD1PRKD3PRKD2
SCHEMBL6317783 0.78 MAPKAPK2 (1.00) MAPKAPK2CDK1PRKD1KDM4E
SCHEMBL6652104 0.78 CDK1 (0.58) MAPKAPK2CDK1PRKD1PRKD3PRKD2
SCHEMBL6312376 0.77 CDK1 (0.59) MAPKAPK2CDK1PRKD1PRKD3PRKD2
SCHEMBL9920620 0.73 MAPKAPK2 (0.71) MAPKAPK2CDK1PRKD1
SCHEMBL19696358 0.72 CDK1 (0.65) MAPKAPK2CDK1PRKD1
SCHEMBL6313843 0.71 PIM1 (0.36) MAPKAPK2CDK1PRKD1PRKD3PRKD2
SCHEMBL6311332 0.71 MAPT (0.47) KDM4EPIM1PIM2
SCHEMBL6312417 0.69 CDK1 (0.37) MAPKAPK2CDK1PRKD1PRKD3PRKD2
SCHEMBL6312999 0.69 MAPT (0.57) PIM1PIM2

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 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.