SCHEMBL6827366

SCHEMBL6827366

NC(=O)c1cn2c3c(cccc3c1=O)CNC2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP1 P09874 7/20 0.36
GSK3A P49840 10/20 0.35
GSK3B P49841 10/20 0.35
PDE4A P27815 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
SCHEMBL6731975 0.87 GSK3A (0.47) PARP1GSK3AGSK3B
SCHEMBL6837082 0.80 MEN1 (0.41) MEN1KMT2APARP1PDE4A
SCHEMBL9746697 0.77 HTR2A (0.51) MEN1KMT2A
SCHEMBL6834809 0.76 MEN1 (0.39) AURKAMEN1KMT2APARP1PDE4A
SCHEMBL6827905 0.76 MEN1 (0.39) AURKAMEN1KMT2APARP1PDE4A
SCHEMBL6837959 0.72 MEN1 (0.40) AURKAMEN1KMT2APARP1PDE4A
SCHEMBL6835431 0.71 PARP1 (0.49) AURKAMEN1KMT2APARP1PDE4A
SCHEMBL18984975 0.68 MEN1 (0.39) AURKAMEN1KMT2APARP1PDE4A
SCHEMBL6835175 0.68 MCL1 (0.42) MEN1KMT2APARP1PDE4A
SCHEMBL7258425 0.68 MCL1 (0.42) MEN1KMT2APARP1

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 AURKA 428/4885MEN1 2250/4885KMT2A 993/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 AURKA 428/4885MEN1 2250/4885KMT2A 993/4885

“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.