SCHEMBL104897

SCHEMBL104897

Cc1noc(C)c1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
NPY2R P49146 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
BRD4 O60885 3/20 0.35
BRD2 P25440 2/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
AGTR1 P30556 1/20 0.33
CREBBP Q92793 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL19791287 0.80 GAA (0.47) GAANPY2RBRD4BRD2ALDH1A1
SCHEMBL21406490 0.80 GAA (0.47) GAANPY2RBRD4BRD2ALDH1A1
SCHEMBL22965529 0.80 GAA (0.47) GAANPY2RBRD4BRD2CREBBP
SCHEMBL16111692 0.80 GAA (0.47) GAANPY2RKDM5BBRD4BRD2
SCHEMBL14677141 0.80 GAA (0.47) GAANPY2RBRD4BRD2ALDH1A1
SCHEMBL17051308 0.80 GAA (0.47) GAANPY2RBRD4BRD2ALDH1A1
SCHEMBL11293798 0.77 GAA (0.35) GAA
SCHEMBL11295038 0.77 GAA (0.35) GAA
SCHEMBL22624086 0.77 GAA (0.44) GAANPY2RBRD4BRD2CREBBP
SCHEMBL12058990 0.77 GAA (0.44) GAANPY2RBRD4BRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PROMEGA CORPORATION 2024-02-29 US disclosed
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PROMEGA CORPORATION 2024-02-29 US disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
WO-2023227696-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
US-20230374022-A1 INHIBITORS OF PARG 858 THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11820757-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2023-11-21 US disclosed
US-11820756-B2 Bradykinin B2 receptor antagonists Pharvaris Netherlands B.V. (NL) 2023-11-21 US disclosed
US-20230364082-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CONTINEUM THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS SEPRACOR INC. (US) 2007-02-22 US disclosed
US-20070043050-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173035-B2 Arylsulfonamide compounds BIOVITRUM AB (SE) 2007-02-06 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 US disclosed
US-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. 2004-05-27 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 (14 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-20230374022-A1 INHIBITORS OF PARG PARG, PLG, SERPINB1 GAA 530/4885NPY2R 4048/4885KDM5B 1587/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 GAA 4186/4885NPY2R 681/4885KDM5B 1252/4885
US-11820757-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 GAA 2596/4885NPY2R 209/4885KDM5B 2210/4885
US-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 PDE4B, PDE4A, PDE5A GAA 500/4885NPY2R 2850/4885KDM5B 377/4885
US-20230364082-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 GAA 2709/4885NPY2R 356/4885KDM5B 2346/4885
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRT2, SIRT1, SIRT3 GAA 2840/4885NPY2R 603/4885KDM5B 523/4885
US-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS CNR1, CNR2, GABRA5 GAA 2781/4885NPY2R 145/4885KDM5B 1429/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC GAA 3181/4885NPY2R 2275/4885KDM5B 987/4885
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PGLS, AADAC, GLB1 GAA 1024/4885NPY2R 4532/4885KDM5B 4318/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 GAA 1553/4885NPY2R 905/4885KDM5B 651/4885
US-20070043050-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 GAA 1262/4885NPY2R 1803/4885KDM5B 1013/4885
US-11820756-B2 Bradykinin B2 receptor antagonists BDKRB2, BDKRB1, VIPR2 GAA 4371/4885NPY2R 57/4885KDM5B 1523/4885
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 GAA 1061/4885NPY2R 1859/4885KDM5B 4743/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 GAA 1455/4885NPY2R 2687/4885KDM5B 1893/4885

“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.