SCHEMBL4554086

SCHEMBL4554086

NCCOCCOCCN1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 1.00
▸ PARP3 Q9Y6F1 1/20 0.66

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
SCHEMBL23363658 0.89 PARP1 (1.00) PARP1PARP3
SCHEMBL29814831 0.89 PARP1 (1.00) PARP1PARP3
SCHEMBL17173535 0.88 PARP1 (1.00) PARP1PARP3
SCHEMBL31568879 0.87 PARP1 (0.84) PARP1PARP3
SCHEMBL30293115 0.87 PARP1 (0.89) PARP1PARP3
SCHEMBL19569971 0.85 PARP1 (0.90) PARP1PARP3
SCHEMBL28516633 0.84 PARP1 (1.00) PARP1PARP3
SCHEMBL17173536 0.84 PARP1 (1.00) PARP1PARP3
SCHEMBL30331782 0.84 PARP1 (0.84) PARP1PARP3
SCHEMBL19914129 0.84 PARP1 (0.84) PARP1PARP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9283222-B2 Inhibitors of poly(ADP-ribose)polymerase ABBVIE INC. (US) 2016-03-15 — — US disclosed
EP-2698062-B1 Inhibitors of poly(adp-ribose)polymerase ABBVIE INC (US) 2015-06-24 — — EP disclosed
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC. (US) 2014-07-31 — — US disclosed
EP-2698062-A1 Inhibitors of poly(adp-ribose)polymerase Abbvie Inc. (US) 2014-02-19 — — EP disclosed
EP-2120579-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2013-11-13 — — EP disclosed
US-8466150-B2 Inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2013-06-18 — — US disclosed
EP-2120579-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2009-11-25 — — EP 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
WO-2008083027-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 — — WO disclosed
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 — — 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 (3 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 1/4885PARP3 23/4885
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885PARP3 3/4885
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885PARP3 3/4885

“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.

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