SCHEMBL6326236

SCHEMBL6326236

NCCCNc1n[nH]c(=O)c2nccnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.36
CHEK2 O96017 1/20 0.36
SYK P43405 9/20 0.36
KCNH2 Q12809 2/20 0.36
AURKB Q96GD4 2/20 0.36
KDR P35968 2/20 0.36
AURKA O14965 1/20 0.36
JAK1 P23458 1/20 0.36
LRRK2 Q5S007 1/20 0.36
GAA P10253 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
KDM4C Q9H3R0 1/20 0.32
STK17A Q9UEE5 2/20 0.32
STK17B O94768 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 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
SCHEMBL5076368 0.82 PARP1 (0.45) SYKHSP90AA1HSP90AB1
SCHEMBL6448886 0.82 SYK (0.44) SYKHSP90AA1HSP90AB1
SCHEMBL6327167 0.73 PRMT5 (0.51) AURKBAURKAGAA
SCHEMBL6326026 0.72 CHEK1 (0.41) CHEK1CHEK2SYKGAAHRH3
SCHEMBL6326992 0.69 PRMT5 (0.50) AURKBAURKAGAA
SCHEMBL6332425 0.67 CHEK1 (0.42) CHEK1SYKAURKBAURKAROCK2
SCHEMBL14776080 0.67 CCNB2 (0.49) KCNH2
SCHEMBL6473156 0.66 PARP1 (0.45) AURKBGAA
SCHEMBL13202994 0.66 SYK (0.38) CHEK1CHEK2SYKKCNH2AURKB
SCHEMBL5076362 0.63 PARP1 (0.45) SYKAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 WO 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 CHEK1 29/4885CHEK2 53/4885SYK 1765/4885

“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.