SCHEMBL34480

SCHEMBL34480

CC(C)(C)OC(=O)Nc1ccc(CN)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.59
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
DRD2 P14416 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
MAPK14 Q16539 1/20 0.49
PLG P00747 2/20 0.48
KLK1 P06870 2/20 0.48
KLK6 Q92876 2/20 0.48
KLKB1 P03952 2/20 0.48
NAMPT P43490 2/20 0.47
PSMB8 P28062 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MAPKAPK2 P49137 2/20 0.46
MAP4K4 O95819 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NCOR2 Q9Y618 1/20 0.46

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
Hydrochloric Acid SCHEMBL7420599 0.98 CYP17A1 (0.58) CYP17A1AURKARPS6KB1DRD2PTGDR2
SCHEMBL5106837 0.87 CYP17A1 (0.57) CYP17A1AURKARPS6KB1DRD2PTGDR2
SCHEMBL132701 0.86 CYP17A1 (0.76) CYP17A1DRD2PTGDR2MAPK14NAMPT
SCHEMBL13055402 0.86 CYP17A1 (0.59) CYP17A1DRD2PTGDR2MAPK14NAMPT
SCHEMBL2243542 0.85 CYP17A1 (0.46) CYP17A1AURKARPS6KB1DRD2PTGDR2
SCHEMBL14547187 0.85 CYP17A1 (0.46) CYP17A1AURKARPS6KB1DRD2PTGDR2
SCHEMBL10361607 0.85 CYP17A1 (0.61) CYP17A1DRD2PTGDR2MAPK14NAMPT
SCHEMBL245094 0.85 CYP17A1 (0.61) CYP17A1AURKARPS6KB1DRD2PTGDR2
SCHEMBL6195004 0.85 CYP17A1 (0.61) CYP17A1AURKARPS6KB1DRD2PTGDR2
SCHEMBL29969056 0.84 AURKA (0.52) CYP17A1AURKARPS6KB1LOXL2HDAC3

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 223 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898193-B Indole aryl sulfone derivative and preparation method and application thereof 山东大学 2022-08-05 CN claimed
CN-112898193-A Indole aryl sulfone derivative and preparation method and application thereof 山东大学 2021-06-04 CN claimed
US-20260125376-A1 IRREVERSIBLE INACTIVATORS TARGETING ARAF/MEK COMPLEXES GERO THOMAS (US) 2026-05-07 US disclosed
EP-4073062-B1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) RYVU THERAPEUTICS S A (PL) 2026-04-29 EP disclosed
CN-121574171-A Difunctional protein degradation agent of direct targeting proteasome, preparation method and application thereof 浙大城市学院 2026-02-27 CN disclosed
EP-4598521-A2 IRREVERSIBLE INACTIVATORS TARGETING ARAF/MEK COMPLEXES Dana-Farber Cancer Institute, Inc. (US) 2025-08-13 EP disclosed
US-20250230124-A1 SMALL MOLECULE INHIBITORS OF ID PROTEINS MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2025-07-17 US disclosed
EP-3493851-B1 NOVEL SCAFFOLDS FOR INTRACELLULAR COMPOUND DELIVERY FOR THE DETECTION OF CANCER CELLS ISI LIFE SCIENCES INC (US) 2025-06-25 EP disclosed
US-20250170104-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR Lasß HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2025-05-29 US disclosed
CN-119855612-A Radionuclide coupling medicine, pharmaceutical composition and application thereof 同宜医药(苏州)有限公司 2025-04-18 CN disclosed
WO-2025049326-A1 TRICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 BIOCRYST PHARMACEUTICALS, INC. (US) 2025-03-06 WO disclosed
EP-0854867-B1 TETRAHYDROQUINOLINES AS NMDA ANTAGONISTS GLAXO WELLCOME SPA (IT) 2002-07-31 EP disclosed
EP-1115731-A2 NOVEL PYRANOSES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-07-18 EP disclosed
US-6211228-B1 COMPOUNDS WITH AMINO, GUANIDINO AND AMIDINO HETEROCYCLIC COMPOUNDS AXYS PHARMACEUTICALS, INC 2001-04-03 US disclosed
WO-2000014097-A2 NOVEL PYRANOSES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-16 WO disclosed
US-6022969-A Compositions and methods for treating mast-cell mediated conditions AXYS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed
US-5977136-A Tetrahydroquinolines as NMDA antagonists GLAXO WELLCOME SPA (IT) 1999-11-02 US disclosed
CN-1160398-A Compositions and methods for treating mast-cell inflammatory condition ARRIS PHARM CORP (US) 1997-09-24 CN disclosed
EP-0782571-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1997-07-09 EP disclosed
WO-1996009297-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1996-03-28 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 (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-20260125376-A1 IRREVERSIBLE INACTIVATORS TARGETING ARAF/MEK COMPLEXES ARAF, BRAF, RAF1 CYP17A1 4431/4885AURKA 477/4885RPS6KB1 220/4885
US-20250230124-A1 SMALL MOLECULE INHIBITORS OF ID PROTEINS ING2, EDF1, DAB2IP CYP17A1 4647/4885AURKA 2612/4885RPS6KB1 1743/4885
US-20250170104-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR Lasß LTA, SERPINB1, LAS1L CYP17A1 3451/4885AURKA 4335/4885RPS6KB1 245/4885

“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.