SCHEMBL6332425

SCHEMBL6332425

Cc1cccc2c(=O)[nH]nc(NCCCN)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.42
AR P10275 2/20 0.42
AURKB Q96GD4 2/20 0.40
AURKA O14965 1/20 0.40
KAT2B Q92831 1/20 0.40
PRMT5 O14744 2/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
WDR77 Q9BQA1 1/20 0.37
SYK P43405 3/20 0.37
KDM4E B2RXH2 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
RPS6KA3 P51812 1/20 0.35
STK3 Q13188 1/20 0.35
ROCK1 Q13464 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MAP4K5 Q9Y4K4 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
SCHEMBL6327167 0.81 PRMT5 (0.51) ARAURKBAURKAPRMT5KMT2A
SCHEMBL6323816 0.81 KAT2B (0.49) ARKAT2BKMT2AKDM4ETSHR
SCHEMBL6326992 0.77 PRMT5 (0.50) ARAURKBAURKAPRMT5KMT2A
SCHEMBL5076368 0.75 PARP1 (0.45) KAT2BSYK
SCHEMBL6326026 0.74 CHEK1 (0.41) CHEK1SYK
SCHEMBL6448886 0.73 SYK (0.44) SYK
SCHEMBL10652657 0.68 SYK (0.50) SYKKDM4E
SCHEMBL19675640 0.68 AR (0.49) CHEK1ARAURKBAURKAPRMT5
SCHEMBL13203024 0.68 KAT2B (0.40) KAT2BSYK
SCHEMBL6326236 0.67 CHEK1 (0.36) CHEK1AURKBAURKASYKROCK2

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 29/4885AR 523/4885AURKB 57/4885

“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.