SCHEMBL6328501

SCHEMBL6328501

Cn1ncc(C(N)=NO)c1NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
LPAR1 Q92633 2/20 0.33
ATR Q13535 1/20 0.33
MAPK14 Q16539 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.32
FSHR P23945 1/20 0.32
NAMPT P43490 1/20 0.32
RAB9A P51151 2/20 0.32
AURKA O14965 2/20 0.32
RPS6KB1 P23443 2/20 0.32
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
CYP17A1 P05093 1/20 0.31
MAPKAPK2 P49137 2/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL20540560 0.87 ALDH1A1 (0.45) GSK3BDYRK1AALDH1A1POLBLPAR1
SCHEMBL4594824 0.82 LPAR1 (0.39) GSK3BDYRK1ALPAR1ATRMAPK14
SCHEMBL21164256 0.78 GSK3B (0.39) GSK3BDYRK1ALPAR1ATRMAPK14
SCHEMBL6326131 0.78 ATR (0.36) GSK3BDYRK1AALDH1A1POLBLPAR1
SCHEMBL9899981 0.75 MEN1 (0.51) GSK3BDYRK1ALPAR1MAPK14CA1
SCHEMBL20772872 0.75 GSK3B (0.39) GSK3BDYRK1ALPAR1ATRMAPK14
SCHEMBL21164202 0.73 GSK3B (0.37) GSK3BDYRK1ALPAR1ATRMAPK14
SCHEMBL18133987 0.71 MEN1 (0.43) ALDH1A1POLB
SCHEMBL23259553 0.70 RXFP1 (0.50) ALDH1A1POLBRAB9A
SCHEMBL30914162 0.70 RXFP1 (0.50) ALDH1A1POLBRAB9A

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-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 GSK3B 105/4885DYRK1A 921/4885ALDH1A1 338/4885

“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.