SCHEMBL76707

SCHEMBL76707

O=C(O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccn1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.62
AR P10275 1/20 0.62
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL3353831 0.81 PARP1 (0.71) PARP1
SCHEMBL4573126 0.81 PARP1 (0.62) PARP1ARLMNATSHRCYP3A4
SCHEMBL6610436 0.81 PARP1 (0.62) PARP1ARLMNATSHRCYP3A4
SCHEMBL77913 0.80 PARP1 (0.73) PARP1AR
SCHEMBL30416453 0.80 PARP1 (0.73) PARP1AR
SCHEMBL30546500 0.79 PARP1 (0.46) PARP1AR
SCHEMBL26123639 0.79 PARP1 (0.46) PARP1AR
SCHEMBL8269390 0.78 PARP1 (0.73) PARP1
SCHEMBL863462 0.78 AR (1.00) PARP1ARLMNATSHRCYP3A4
SCHEMBL3353503 0.78 TSHR (0.64) PARP1ARLMNATSHR

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
EP-2231638-A1 PHTHALAZINONE DERIVATIVES AstraZeneca AB (SE) 2010-09-29 EP disclosed
CN-101048399-B 4-hetero aryl methyl substituted phthalazinone derivatives KUDOS PHARM LTD 2010-09-01 CN disclosed
US-7666870-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2010-02-23 US disclosed
US-7666870-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2010-02-23 US disclosed
US-20090163477-A1 PHTHALAZINONE DERIVATIVES MAYBRIDGE LIMITED (GB) 2009-06-25 US disclosed
US-20090163477-A1 PHTHALAZINONE DERIVATIVES MAYBRIDGE LIMITED (GB) 2009-06-25 US disclosed
US-7407957-B2 e.g. 4-[5-(piperazine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent; septic shock; ischemic injury; reperfusion injury; hemorrhagic shock; and multiple sclerosis MAYBRIDGE LIMITED (GB) 2008-08-05 US disclosed
US-7407957-B2 e.g. 4-[5-(piperazine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent; septic shock; ischemic injury; reperfusion injury; hemorrhagic shock; and multiple sclerosis MAYBRIDGE LIMITED (GB) 2008-08-05 US disclosed
US-7407957-B2 e.g. 4-[5-(piperazine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent; septic shock; ischemic injury; reperfusion injury; hemorrhagic shock; and multiple sclerosis MAYBRIDGE LIMITED (GB) 2008-08-05 US disclosed
CN-101048399-A 4-hetero aryl methyl substituted phthalazinone derivatives KUDOS PHARM LTD (GB) 2007-10-03 CN disclosed
EP-1791827-A1 4-HETEROARYLMETHYL SUBSTITUTED PHTHALAZINONE DERIVATIVES Kudos Pharmaceuticals Limited (GB) 2007-06-06 EP disclosed
US-20060063767-A1 Phthalazinone derivatives KUDOS PHARMACEUTICALS LTD (GB) 2006-03-23 US disclosed
WO-2006021801-A1 4-HETEROARYLMETHYL SUBSTITUTED PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2006-03-02 WO disclosed
WO-2006021801-A1 4-HETEROARYLMETHYL SUBSTITUTED PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2006-03-02 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 (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-20090163477-A1 PHTHALAZINONE DERIVATIVES PARP1, PARP2, PARP11 PARP1 1/4885AR 190/4885LMNA 516/4885
US-20120129855-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA PARP1 1973/4885AR 100/4885LMNA 1059/4885
US-20060063767-A1 Phthalazinone derivatives PARP1, PARP2, NR0B1 PARP1 1/4885AR 155/4885LMNA 504/4885

“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.