SCHEMBL6731975

SCHEMBL6731975

NC(=O)c1cn2c3c(cccc3c1=O)CNCC2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 19/20 0.47
GSK3B P49841 19/20 0.47
PARP1 P09874 1/20 0.42

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
SCHEMBL6827366 0.87 AURKA (0.40) GSK3AGSK3BPARP1
SCHEMBL6837082 0.83 MEN1 (0.41) PARP1
SCHEMBL9746697 0.81 HTR2A (0.51)
SCHEMBL6835431 0.80 PARP1 (0.49) PARP1
SCHEMBL6827905 0.74 MEN1 (0.39) PARP1
SCHEMBL6834809 0.74 MEN1 (0.39) PARP1
SCHEMBL6835175 0.72 MCL1 (0.42) PARP1
SCHEMBL22324957 0.72 GSK3A (0.48) GSK3AGSK3B
SCHEMBL7258425 0.72 MCL1 (0.42) PARP1
SCHEMBL3056545 0.72 GSK3A (0.49) GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029879-A1 Heterocycle carboxamides as antiviral agents ANDERSON DAVID JOHN (US) 2004-02-12 US disclosed
US-6624159-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-09-23 US disclosed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 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 (2 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-20040029879-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 GSK3A 3598/4885GSK3B 3712/4885PARP1 676/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 GSK3A 3598/4885GSK3B 3712/4885PARP1 676/4885

“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.