SCHEMBL16190383

SCHEMBL16190383

CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00
TNKS O95271 1/20 0.78
ADORA1 P30542 1/20 0.78
CDK6 Q00534 1/20 0.78
PDE3A Q14432 1/20 0.78
PARP6 Q2NL67 1/20 0.78
PARP15 Q460N3 1/20 0.78
PARP14 Q460N5 1/20 0.78
PARP10 Q53GL7 1/20 0.78
TIPARP Q7Z3E1 1/20 0.78
PARP8 Q8N3A8 1/20 0.78
PARP16 Q8N5Y8 1/20 0.78
PARP12 Q9H0J9 1/20 0.78
TNKS2 Q9H2K2 1/20 0.78
PARP11 Q9NR21 1/20 0.78
PARP2 Q9UGN5 1/20 0.78
PARP4 Q9UKK3 1/20 0.78
PARP3 Q9Y6F1 1/20 0.78

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
SCHEMBL28516633 0.96 PARP1 (1.00) PARP1PARP3
SCHEMBL19569971 0.95 PARP1 (0.90) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL10091980 0.92 PARP1 (1.00) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL19769966 0.91 PARP1 (1.00) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL27776285 0.91 PARP1 (0.87) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL30293115 0.91 PARP1 (0.89) PARP1PARP3
SCHEMBL17173536 0.90 PARP1 (1.00) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL15204472 0.90 PARP1 (0.86) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL24301572 0.90 PARP1 (0.82) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL23378211 0.90 PARP1 (0.82) PARP1TNKSADORA1CDK6PDE3A

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
CN-103172619-B 4-(substituted benzyl)-1 (2H)-phthalazone analog derivative and preparation method thereof, pharmaceutical composition and purposes Qilu Pharmaceutical Co.,Ltd. (CN) 2016-12-14 CN claimed
US-11826430-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2023-11-28 US disclosed
WO-2023201338-A1 COMBINATION THERAPY COMPRISING A MAT2A INHIBITOR AND A PARP INHIBITOR IDEAYA BIOSCIENCES, INC. (US) 2023-10-19 WO disclosed
WO-2022129925-A1 NOVEL BIFUNCTIONAL MOLECULES FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2022-06-23 WO disclosed
WO-2021262548-A1 A PLATFORM FOR SCREENING NAD+ BINDING PROTEINS IN A CELLULAR CONTEXT OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-12-30 WO disclosed
US-20200360523-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-11-19 US disclosed
WO-2019186135-A1 RADIOLABELLED COMPOUND OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-10-03 WO disclosed
WO-2018038680-A1 PROCESSES FOR PREPARING OLAPARIB SCINOPHARM TAIWAN, LTD. (TW) 2018-03-01 WO disclosed
CN-103172619-B 4-(substituted benzyl)-1 (2H)-phthalazone analog derivative and preparation method thereof, pharmaceutical composition and purposes Qilu Pharmaceutical Co.,Ltd. (CN) 2016-12-14 CN disclosed
US-9168266-B2 Hybrid diazeniumdiolated compounds, pharmaceutical compositions, and method of treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-27 US disclosed
US-20140315865-A1 HYBRID DIAZENIUMDIOLATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-10-23 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 (3 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-20200360523-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NCOA1, NCOR1, NCOA3 PARP1 1873/4885TNKS 2187/4885ADORA1 3196/4885
US-20140315865-A1 HYBRID DIAZENIUMDIOLATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHOD OF TREATING CANCER PARP4, PARP14, PARP1 PARP1 3/4885TNKS 128/4885ADORA1 529/4885
US-11826430-B2 Anti-cancer nuclear hormone receptor-targeting compounds NCOA1, NCOR1, NCOA3 PARP1 1873/4885TNKS 2187/4885ADORA1 3196/4885

“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.