SCHEMBL2236446

SCHEMBL2236446

CNCc1ccc(-c2[nH]c3cccc4c3c2CCNC4=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.72
DYRK3 O43781 1/20 0.72
TNKS O95271 1/20 0.72
PGR P06401 1/20 0.72
CDK1 P06493 1/20 0.72
ADRB1 P08588 1/20 0.72
POLA1 P09884 1/20 0.72
PIM1 P11309 1/20 0.72
SLC6A2 P23975 1/20 0.72
ADRA1A P35348 1/20 0.72
PTGS2 P35354 1/20 0.72
CDK16 Q00536 1/20 0.72
PDE4D Q08499 1/20 0.72
KCNH2 Q12809 1/20 0.72
DYRK1A Q13627 1/20 0.72
PARP15 Q460N3 1/20 0.72
PARP14 Q460N5 1/20 0.72
PARP10 Q53GL7 1/20 0.72
PIM3 Q86V86 1/20 0.72
PARP9 Q8IXQ6 1/20 0.72

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
SCHEMBL30481738 1.00 PARP1 (0.72) PARP1DYRK3TNKSPGRCDK1
Phosphoric Acid SCHEMBL21122083 0.95 PARP1 (0.74) PARP1DYRK3TNKSPGRCDK1
SCHEMBL5003154 0.89 PARP1 (0.74) PARP1DYRK3TNKSPGRCDK1
SCHEMBL5002773 0.85 PARP1 (0.75) PARP1
SCHEMBL27015319 0.84 PARP1 (0.79) PARP1
SCHEMBL27293629 0.84 PARP1 (0.79) PARP1DYRK3TNKSPGRCDK1
SCHEMBL5005844 0.84 PARP1 (1.00) PARP1PARP2
Rucaparib SCHEMBL29351768 0.84 PARP1 (1.00) PARP1DYRK3TNKSPGRCDK1
Rucaparib SCHEMBL844585 0.84 PARP1 (1.00) PARP1DYRK3TNKSPGRCDK1
SCHEMBL5001991 0.83 PARP1 (0.95) 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO claimed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US claimed
US-12427157-B2 Methods for treatment of diseases involving acidic or hypoxic diseased tissues CYBREXA 1, INC. (US) 2025-09-30 US disclosed
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
WO-2023147400-A1 COMPOSITIONS AND METHODS FOR INHIBITING STAG1 EXPRESSION AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-03 WO disclosed
WO-2023284262-A1 3,4-FUSED SEVEN-MEMBERED HETEROCYCLIC OXINDOLE, SYNTHESIS METHOD THEREFOR AND APPLICATION THEREOF 青岛农业大学 2023-01-19 WO disclosed
US-20210299137-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES CYBREXA 1, INC. 2021-09-30 US disclosed
US-11021483-B2 Crystalline of camphorsulfonic acid salt of rucaparib and method of preparing of tricyclic compounds, rucaparib and crystalline of camphorsulfonic acid salt of rucaparib FORMOSA LABORATORIES, INC. (TW) 2021-06-01 US disclosed
US-10933069-B2 Compounds, compositions, and methods for treatment of diseases involving acidic or hypoxic diseased tissues CYBREXA 1, INC. (US) 2021-03-02 US disclosed
US-10927075-B2 Compositions and methods relating to the treatment of cancer, autoimmune disease, and neurodegenerative disease THE JACKSON LABORATORY (US) 2021-02-23 US disclosed
CN-111989137-A Compounds, compositions and methods for treating diseases involving acidic or hypoxic diseased tissue 赛博克萨1公司 2020-11-24 CN disclosed
US-7429578-B2 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-20060009517-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. 2006-01-12 US disclosed
US-6977298-B2 Tricyclic inhibitors of poly(ADP-ribose) polymerases Agouron Pharmacetucals, Inc. (US) 2005-12-20 US disclosed
US-20050085460-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. 2005-04-21 US disclosed
EP-1140936-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMA (US) 2004-03-17 EP disclosed
US-20030078254-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases WEBBER STEPHEN EVAN (US) 2003-04-24 US disclosed
US-6495541-B1 POTENTIATION OF ANTICANCER THERAPIES AND INHIBITION OF NEUROTOXICITY CONSEQUENT TO STROKE, HEAD TRAUMA, AND NEURO-DEGENERATIVE DISEASES; SUCH AS 2-BROMO-3,4-DIHYDROPYRROLO-(4,3,2-DE)ISOGUINOLIN-5-ONE AGOURON PHARMACEUTICALS, INC. 2002-12-17 US disclosed
EP-1140936-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2001-10-10 EP disclosed
WO-2000042040-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2000-07-20 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 (10 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-20060009517-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP2, PARP11 PARP1 1/4885DYRK3 4009/4885TNKS 15/4885
US-20050085460-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP2, PARP11 PARP1 1/4885DYRK3 4009/4885TNKS 15/4885
US-10927075-B2 Compositions and methods relating to the treatment of cancer, autoimmune disease, and neurodegenerative disease OGG1, MGMT, TDP1 PARP1 36/4885DYRK3 4370/4885TNKS 318/4885
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 PARP1 2/4885DYRK3 4226/4885TNKS 40/4885
US-20210299137-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES HIF1A, HIF1AN, VHL PARP1 1881/4885DYRK3 4857/4885TNKS 2415/4885
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 PARP1 1/4885DYRK3 4249/4885TNKS 81/4885
US-20030078254-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP11, PARP2 PARP1 1/4885DYRK3 4237/4885TNKS 15/4885
US-11021483-B2 Crystalline of camphorsulfonic acid salt of rucaparib and method of preparing of tricyclic compounds, rucaparib and crystalline of camphorsulfonic acid salt of rucaparib GRHPR, HRAS, CHEK1 PARP1 5/4885DYRK3 3360/4885TNKS 247/4885
US-10933069-B2 Compounds, compositions, and methods for treatment of diseases involving acidic or hypoxic diseased tissues HIF1A, HIF1AN, VHL PARP1 1881/4885DYRK3 4857/4885TNKS 2415/4885
US-12427157-B2 Methods for treatment of diseases involving acidic or hypoxic diseased tissues HIF1A, HIF1AN, EGLN3 PARP1 2085/4885DYRK3 4794/4885TNKS 2390/4885

“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.