SCHEMBL6311690

SCHEMBL6311690

COc1ccc2sc3c(c2c1)NC[C@H](C)NC3=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 20/20 1.00
CDK1 P06493 18/20 1.00

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
SCHEMBL6314208 1.00 MAPKAPK2 (1.00) MAPKAPK2CDK1
SCHEMBL6311137 1.00 MAPKAPK2 (1.00) MAPKAPK2CDK1
SCHEMBL6312607 0.90 MAPKAPK2 (0.82) MAPKAPK2CDK1
SCHEMBL6310787 0.90 MAPKAPK2 (0.82) MAPKAPK2CDK1
SCHEMBL6320092 0.90 MAPKAPK2 (0.82) MAPKAPK2CDK1
SCHEMBL17368534 0.87 MAPKAPK2 (0.77) MAPKAPK2CDK1
SCHEMBL6313111 0.85 MAPKAPK2 (0.73) MAPKAPK2CDK1
SCHEMBL6311973 0.85 MAPKAPK2 (0.73) MAPKAPK2CDK1
SCHEMBL6321017 0.85 MAPKAPK2 (0.73) MAPKAPK2CDK1
SCHEMBL17748417 0.84 MAPKAPK2 (1.00) MAPKAPK2CDK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 274/4885

“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.