SCHEMBL2208978

SCHEMBL2208978

O=c1[nH]nc(Cc2ccc(F)c(Br)c2)c2c1CCCC2

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.80

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
SCHEMBL4439417 0.89 PARP1 (1.00) PARP1
SCHEMBL4441357 0.85 PARP1 (1.00) PARP1
SCHEMBL8158910 0.85 PARP1 (0.73) PARP1
SCHEMBL5126428 0.82 PARP1 (1.00) PARP1
SCHEMBL2208552 0.82 PARP1 (0.70) PARP1
SCHEMBL4433496 0.82 PARP1 (1.00) PARP1
SCHEMBL2210014 0.81 PARP1 (1.00) PARP1
SCHEMBL4436099 0.81 PARP1 (1.00) PARP1
SCHEMBL4437950 0.81 PARP1 (1.00) PARP1
SCHEMBL4439236 0.81 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102952118-B Poly-(ADP-ribose) AG14361, preparation method and its usage SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2016-03-23 CN disclosed
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
CN-102952118-A Poly(ADP-ribose)polymerase inhibitor, preparation method and application thereof SHANGHAI DINUO MEDICAL TECHNOLOGY CO LTD 2013-03-06 CN disclosed
US-7981890-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2011-07-19 US disclosed
US-7981890-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2011-07-19 US disclosed
WO-2009004356-A1 PHTHALAZINONE DERIVATIVES AS INHIBITORS OF PARP-1 ASTRAZENECA AB (SE) 2009-01-08 WO disclosed
WO-2009004356-A1 PHTHALAZINONE DERIVATIVES AS INHIBITORS OF PARP-1 ASTRAZENECA AB (SE) 2009-01-08 WO disclosed
US-20080280910-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2008-11-13 US disclosed
US-20080280910-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2008-11-13 US disclosed
US-20080280910-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2008-11-13 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
WO-2008114023-A2 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2008-09-25 WO disclosed
WO-2008114023-A2 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2008-09-25 WO 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 (4 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
US-20080280910-A1 PHTHALAZINONE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SDHA, NCOA4 PARP1 3512/4885
US-20080161280-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.