SCHEMBL4093910

SCHEMBL4093910

O=C(O)CC1NC(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.61
TNKS O95271 1/20 0.50
ADORA1 P30542 1/20 0.50
CDK6 Q00534 1/20 0.50
PDE3A Q14432 1/20 0.50
PARP6 Q2NL67 1/20 0.50
PARP15 Q460N3 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP10 Q53GL7 1/20 0.50
TIPARP Q7Z3E1 1/20 0.50
PARP8 Q8N3A8 1/20 0.50
PARP16 Q8N5Y8 1/20 0.50
PARP12 Q9H0J9 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
PARP11 Q9NR21 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
PARP3 Q9Y6F1 1/20 0.50
PRAP1 Q96NZ9 1/20 0.49

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
SCHEMBL1806111 0.84 PARP1 (0.67) PARP1PRAP1
SCHEMBL8242343 0.84 PARP1 (0.67) PARP1PRAP1
SCHEMBL13007009 0.79 PARP1 (0.72) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL4088922 0.79 PARP1 (0.59) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL863338 0.78 PARP1 (0.92) PARP1
SCHEMBL29408705 0.78 PARP1 (0.92) PARP1
SCHEMBL4089682 0.77 PARP1 (0.69) PARP1
SCHEMBL3385158 0.77 PARP1 (0.68) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL3385144 0.76 PARP1 (0.80) PARP1PARP3
SCHEMBL3388183 0.76 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902193-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2011-03-08 US disclosed
US-7902193-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2011-03-08 US disclosed
US-7902193-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2011-03-08 US disclosed
US-20090069303-A1 PHTHALAZINONE DERIVATIVES MAYBRIDGE LIMITED (GB) 2009-03-12 US disclosed
US-20090069303-A1 PHTHALAZINONE DERIVATIVES MAYBRIDGE LIMITED (GB) 2009-03-12 US disclosed
US-20090069303-A1 PHTHALAZINONE DERIVATIVES MAYBRIDGE LIMITED (GB) 2009-03-12 US disclosed
US-7470688-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2008-12-30 US disclosed
US-7470688-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2008-12-30 US disclosed
US-7470688-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2008-12-30 US disclosed
EP-1948642-A1 4-HETEROARYMETHYL SUBSTITUTED PHTHALAZINONE DERIVATIVES Kudos Pharmaceuticals Ltd (GB) 2008-07-30 EP disclosed
WO-2007045877-A1 4-HETEROARYMETHYL SUBSTITUTED PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2007-04-26 WO disclosed
WO-2007045877-A1 4-HETEROARYMETHYL SUBSTITUTED PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2007-04-26 WO disclosed
US-20070093489-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2007-04-26 US disclosed
US-20070093489-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2007-04-26 US disclosed
US-20070093489-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2007-04-26 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 (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-20090069303-A1 PHTHALAZINONE DERIVATIVES NR2C2, NR2E3, NR3C2 PARP1 2875/4885TNKS 4693/4885ADORA1 2764/4885
US-20070093489-A1 PHTHALAZINONE DERIVATIVES NR2C2, NR2E3, NR3C2 PARP1 2388/4885TNKS 4613/4885ADORA1 2850/4885

“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.