SCHEMBL797996

SCHEMBL797996

O=C1NCCc2c(Cl)cccc21

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.64
PARP10 Q53GL7 7/20 0.64
PARP11 Q9NR21 6/20 0.64
MAPT P10636 1/20 0.54
PDPK1 O15530 1/20 0.52
ACHE P22303 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.47
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
HTT P42858 1/20 0.45
PTK2B Q14289 1/20 0.45

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
SCHEMBL30233773 1.00 PARP1 (0.64) PARP1PARP10PARP11MAPTPDPK1
SCHEMBL31303452 0.81 CDK5 (0.61) PARP1PARP10PARP11MAPT
SCHEMBL2379452 0.81 CDK5 (0.61) PARP1PARP10PARP11MAPT
SCHEMBL2999788 0.78 PARP10 (1.00) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL7581623 0.78 PARP1 (1.00) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL831538 0.78 PARP1 (1.00) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL6421827 0.78 PARP1 (0.64) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL8118685 0.78 PARP1 (0.64) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL830807 0.78 PARP1 (1.00) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL5073463 0.78 PARP1 (0.64) 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 54 patents — showing the first 20. 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
CN-115772156-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2023-03-10 CN disclosed
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 EP disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 EP disclosed
CN-107072985-B Therapeutic inhibiting compounds 莱福斯希医药公司 2020-02-07 CN disclosed
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
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 (4 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-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885PARP10 1027/4885PARP11 449/4885
US-20020019417-A1 Methods, compounds and compositions for treating gout PARP2, PARP1, PARP3 PARP1 2/4885PARP10 15/4885PARP11 7/4885
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 PARP1 2549/4885PARP10 940/4885PARP11 844/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 PARP1 1139/4885PARP10 1027/4885PARP11 449/4885

“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.