SCHEMBL3784199

SCHEMBL3784199

O=C(O)c1ccc2c(c1)[nH]c(=O)c1cccn12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.68
TP53 P04637 1/20 0.62
AURKB Q96GD4 1/20 0.61
AURKA O14965 2/20 0.51
CSNK2A1 P68400 2/20 0.51
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
MAPK13 O15264 1/20 0.51
PDPK1 O15530 1/20 0.51
DYRK3 O43781 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
ERBB2 P04626 1/20 0.51
NTRK1 P04629 1/20 0.51
PRKCG P05129 1/20 0.51
FYN P06241 1/20 0.51
CSF1R P07333 1/20 0.51
RET P07949 1/20 0.51
IGF1R P08069 1/20 0.51

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
SCHEMBL3335735 0.88 PARP1 (0.59) PARP1TP53AURKBAURKACSNK2A1
SCHEMBL13056839 0.88 PARP1 (0.68) PARP1TP53AURKBAURKACSNK2A1
SCHEMBL30902531 0.87 PARP1 (0.67) PARP1TP53AURKBAURKACSNK2A1
SCHEMBL29893230 0.83 PARP1 (0.62) PARP1TP53AURKBAURKACSNK2A1
SCHEMBL3339424 0.83 PARP1 (0.62) PARP1TP53AURKBAURKACSNK2A1
SCHEMBL3080392 0.83 PARP1 (0.62) PARP1TP53AURKBAURKACSNK2A1
SCHEMBL3087087 0.81 PARP1 (1.00) PARP1TP53AURKBAURKACSNK2A1
SCHEMBL3786255 0.80 PARP1 (0.59) PARP1TP53AURKBAURKACSNK2A1
SCHEMBL29965297 0.80 PARP1 (0.59) PARP1TP53AURKBAURKACSNK2A1
SCHEMBL3075555 0.80 PARP1 (0.98) PARP1TP53AURKBAURKACSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005637-A Fused tricyclic PARP1 inhibitor, preparation method and application thereof 上海海和药物研究开发股份有限公司 2024-05-10 CN disclosed
CN-117980307-A Substituted tricyclic compounds as PARP inhibitors and application thereof 上海瑛派药业有限公司 2024-05-03 CN disclosed
CN-115368362-A Quinoxalinone derivatives as BTK inhibitors and application thereof 华东理工大学 2022-11-22 CN disclosed
WO-2010135571-A1 NOVEL PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
WO-2010135571-A1 NOVEL PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2010-11-25 US disclosed
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2010-11-25 US disclosed
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2010-11-25 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-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS PIM2, PIM1, PIM3 PARP1 1573/4885TP53 315/4885AURKB 269/4885

“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.