SCHEMBL3350841

SCHEMBL3350841

O=C(c1ccnc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.73
PARP3 Q9Y6F1 1/20 0.57
TSHR P16473 1/20 0.54

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
SCHEMBL30415984 0.84 PARP1 (1.00) PARP1
SCHEMBL1689488 0.84 PARP1 (1.00) PARP1
SCHEMBL8271262 0.84 PARP1 (0.74) PARP1PARP3
SCHEMBL3353831 0.82 PARP1 (0.71) PARP1PARP3
SCHEMBL3353503 0.82 TSHR (0.64) PARP1TSHR
SCHEMBL29007081 0.82 PARP1 (0.70) PARP1PARP3
SCHEMBL1689414 0.81 PARP1 (1.00) PARP1PARP3
SCHEMBL3351839 0.80 PARP1 (0.65) PARP1PARP3TSHR
SCHEMBL30416358 0.80 PARP1 (0.76) PARP1PARP3
SCHEMBL29007082 0.80 PARP1 (0.76) 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 6 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-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
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

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 PARP1 1/4885PARP3 4/4885TSHR 849/4885
US-20060063767-A1 Phthalazinone derivatives PARP1, PARP2, NR0B1 PARP1 1/4885PARP3 7/4885TSHR 773/4885

“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.