SCHEMBL5131002

SCHEMBL5131002

O=C(NC1CCN(C(=O)c2ccccn2)CC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00

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
SCHEMBL5130330 0.94 PARP1 (1.00) PARP1
SCHEMBL5128483 0.90 PARP1 (1.00) PARP1
SCHEMBL5117752 0.89 PARP1 (1.00) PARP1
SCHEMBL5130734 0.89 PARP1 (1.00) PARP1
SCHEMBL5131077 0.88 PARP1 (1.00) PARP1
SCHEMBL5131451 0.88 PARP1 (1.00) PARP1
SCHEMBL5125724 0.87 PARP1 (1.00) PARP1
SCHEMBL5131087 0.87 PARP1 (1.00) PARP1
SCHEMBL4440585 0.86 PARP1 (1.00) PARP1
SCHEMBL5121829 0.86 PARP1 (1.00) PARP1

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 1/4885
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885

“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.