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SCHEMBL78326

SCHEMBL78326

O=C(COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1)N1CC(F)(F)C1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.75
▸ PRAP1 Q96NZ9 1/20 0.75
▸ TNKS O95271 1/20 0.67
▸ ADORA1 P30542 1/20 0.67
▸ CDK6 Q00534 1/20 0.67
▸ PDE3A Q14432 1/20 0.67
▸ PARP6 Q2NL67 1/20 0.67
▸ PARP15 Q460N3 1/20 0.67
▸ PARP14 Q460N5 1/20 0.67
▸ PARP10 Q53GL7 1/20 0.67
▸ TIPARP Q7Z3E1 1/20 0.67
▸ PARP8 Q8N3A8 1/20 0.67
▸ PARP16 Q8N5Y8 1/20 0.67
▸ PARP12 Q9H0J9 1/20 0.67
▸ TNKS2 Q9H2K2 1/20 0.67
▸ PARP11 Q9NR21 1/20 0.67
▸ PARP2 Q9UGN5 1/20 0.67
▸ PARP4 Q9UKK3 1/20 0.67
▸ PARP3 Q9Y6F1 1/20 0.67

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
SCHEMBL8014912 0.94 PARP1 (0.73) PARP1PRAP1TNKSADORA1CDK6
SCHEMBL87117 0.92 PARP1 (0.78) PARP1PRAP1TNKSADORA1CDK6
SCHEMBL78517 0.91 PARP1 (0.77) PARP1PRAP1TNKSADORA1CDK6
SCHEMBL86900 0.90 PARP1 (0.75) PARP1PRAP1TNKSADORA1CDK6
SCHEMBL77230 0.89 PARP1 (0.81) PARP1PRAP1TNKSADORA1CDK6
SCHEMBL22829819 0.89 PARP1 (0.80) PARP1PRAP1TNKSADORA1CDK6
SCHEMBL8012231 0.88 PARP1 (0.79) PARP1PRAP1TNKSADORA1CDK6
SCHEMBL77632 0.88 PARP1 (0.81) PARP1PRAP1TNKSADORA1CDK6
SCHEMBL76871 0.88 PARP1 (0.84) PARP1PRAP1TNKSADORA1CDK6
SCHEMBL22829836 0.87 PARP1 (0.80) PARP1PRAP1TNKSADORA1CDK6

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 11 patents. 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
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 — — US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 — — US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 — — US disclosed
WO-2009093032-A1 PHTHALAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-30 — — 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-20090192156-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA PARP1 1973/4885PRAP1 2633/4885TNKS 4458/4885
US-20120129855-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA PARP1 1973/4885PRAP1 2633/4885TNKS 4458/4885

“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.