SCHEMBL3353081

SCHEMBL3353081

N#Cc1ccnc(Cc2n[nH]c(=O)c3ccccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
AR P10275 10/20 0.51
PARP1 P09874 3/20 0.51
LMNA P02545 3/20 0.50
PRMT5 O14744 2/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
WDR77 Q9BQA1 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL12798218 0.81 TSHR (0.68) TSHRARPARP1LMNAPRMT5
SCHEMBL4088774 0.81 TSHR (0.68) TSHRARPARP1LMNAPRMT5
SCHEMBL4096628 0.78 TSHR (0.64) TSHRARPARP1LMNAPRMT5
SCHEMBL8270690 0.78 PARP1 (0.58) TSHRARPARP1LMNACYP3A4
SCHEMBL3353503 0.78 TSHR (0.64) TSHRARPARP1LMNA
SCHEMBL12798214 0.77 TSHR (0.62) TSHRARPARP1LMNAPRMT5
SCHEMBL3350841 0.73 PARP1 (0.73) TSHRPARP1
SCHEMBL6606293 0.72 TSHR (0.72) TSHRARPARP1LMNAPRMT5
SCHEMBL10679636 0.70 PRMT5 (0.62) TSHRARPARP1LMNAPRMT5
SCHEMBL4101578 0.70 CCNC (0.47) TSHRLMNACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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 (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-20090163477-A1 PHTHALAZINONE DERIVATIVES PARP1, PARP2, PARP11 TSHR 849/4885AR 190/4885PARP1 1/4885
US-20060063767-A1 Phthalazinone derivatives PARP1, PARP2, NR0B1 TSHR 773/4885AR 155/4885PARP1 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.