SCHEMBL6834809

SCHEMBL6834809

NC(=O)c1cn2c3c(cccc3c1=O)COC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP1 P09874 13/20 0.37
PDE4A P27815 1/20 0.35
AURKA O14965 2/20 0.34
PARP2 Q9UGN5 4/20 0.34
RPS6KB1 P23443 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6837082 0.80 MEN1 (0.41) MEN1KMT2APARP1PDE4APARP2
SCHEMBL9746697 0.77 HTR2A (0.51) MEN1KMT2AALDH1A1
SCHEMBL6827905 0.76 MEN1 (0.39) MEN1KMT2APARP1PDE4AAURKA
SCHEMBL6827366 0.76 AURKA (0.40) MEN1KMT2APARP1PDE4AAURKA
SCHEMBL6731975 0.74 GSK3A (0.47) PARP1
SCHEMBL7258425 0.71 MCL1 (0.42) MEN1KMT2APARP1
SCHEMBL18984975 0.71 MEN1 (0.39) MEN1KMT2APARP1PDE4AAURKA
SCHEMBL6838299 0.70 MEN1 (0.43) MEN1KMT2A
SCHEMBL6837959 0.69 MEN1 (0.40) MEN1KMT2APARP1PDE4AAURKA
SCHEMBL6835431 0.68 PARP1 (0.49) MEN1KMT2APARP1PDE4AAURKA

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 MEN1 2250/4885KMT2A 993/4885PARP1 676/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MEN1 2250/4885KMT2A 993/4885PARP1 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.