SCHEMBL7581623

SCHEMBL7581623

Nc1cccc2c1CCNC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 1.00
PARP10 Q53GL7 5/20 0.64
PARP11 Q9NR21 5/20 0.64
PDPK1 O15530 1/20 0.52
ACHE P22303 1/20 0.50
PIM1 P11309 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK5 Q00535 1/20 0.44
ROCK1 Q13464 1/20 0.44
DYRK1A Q13627 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
CD44 P16070 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
SCHEMBL30914266 0.81 PARP1 (0.68) PARP1PARP10PARP11PIM1CSNK1A1
SCHEMBL867264 0.81 PARP1 (0.68) PARP1PARP10PARP11PIM1CSNK1A1
SCHEMBL2999788 0.78 PARP10 (1.00) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL5073463 0.78 PARP1 (0.64) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL6421827 0.78 PARP1 (0.64) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL8118685 0.78 PARP1 (0.64) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL831538 0.78 PARP1 (1.00) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL830807 0.78 PARP1 (1.00) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL797996 0.78 PARP1 (0.64) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL29644368 0.78 PARP10 (1.00) PARP1PARP10PARP11PDPK1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355750-B1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER LAMBERT CO (US) 1995-01-25 EP claimed
US-5177075-A Antitumor agents WARNER-LAMBERT COMPANY (US) 1993-01-05 US claimed
EP-0355750-A1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER-LAMBERT COMPANY (US) 1990-02-28 EP claimed
US-6348475-B1 POLYMERASE INHIBITOR GUILFORD PHARMACEUTICALS INC. 2002-02-19 US disclosed
US-20020019417-A1 Methods, compounds and compositions for treating gout EISAI INC. 2002-02-14 US disclosed
EP-0355750-B1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER LAMBERT CO (US) 1995-01-25 EP disclosed
US-5177075-A Antitumor agents WARNER-LAMBERT COMPANY (US) 1993-01-05 US disclosed
EP-0355750-A1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER-LAMBERT COMPANY (US) 1990-02-28 EP 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 (1 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-20020019417-A1 Methods, compounds and compositions for treating gout PARP2, PARP1, PARP3 PARP1 2/4885PARP10 15/4885PARP11 7/4885

“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.