SCHEMBL5117900

SCHEMBL5117900

COc1ccc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4CCCC5)ccc3F)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00
MAP4K4 O95819 1/20 0.71
CLK2 P49760 1/20 0.71
MAP4K2 Q12851 1/20 0.71
AURKB Q96GD4 1/20 0.71
SLK Q9H2G2 1/20 0.71
CLK4 Q9HAZ1 1/20 0.71
IRAK4 Q9NWZ3 1/20 0.71
MAP4K5 Q9Y4K4 1/20 0.71

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
SCHEMBL5130215 0.92 PARP1 (1.00) PARP1
SCHEMBL5130959 0.91 PARP1 (1.00) PARP1
SCHEMBL5121159 0.91 PARP1 (1.00) PARP1MAP4K4CLK2MAP4K2AURKB
SCHEMBL5131324 0.89 PARP1 (1.00) PARP1MAP4K4CLK2MAP4K2AURKB
SCHEMBL5131128 0.88 PARP1 (1.00) PARP1MAP4K4CLK2MAP4K2AURKB
SCHEMBL5131354 0.87 PARP1 (1.00) PARP1
SCHEMBL2763260 0.87 PARP1 (0.79) PARP1
SCHEMBL5127094 0.85 PARP1 (1.00) PARP1MAP4K4CLK2MAP4K2AURKB
SCHEMBL5130793 0.85 PARP1 (1.00) PARP1
SCHEMBL5126905 0.85 PARP1 (1.00) PARP1MAP4K4CLK2MAP4K2AURKB

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
US-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents ABBOTT LABORATORIES (US) 2008-10-30 US claimed
US-9283222-B2 Inhibitors of poly(ADP-ribose)polymerase ABBVIE INC. (US) 2016-03-15 US disclosed
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC. (US) 2014-07-31 US disclosed
US-8466150-B2 Inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2013-06-18 US disclosed
US-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents ABBOTT LABORATORIES (US) 2008-10-30 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-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents PARP1, DPYD, PARP2 PARP1 1/4885MAP4K4 1403/4885CLK2 2798/4885
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885MAP4K4 3915/4885CLK2 2804/4885

“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.