SCHEMBL2335872

SCHEMBL2335872

COC(=O)C1CCNc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F12 P00748 20/20 0.47
F2 P00734 4/20 0.42

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
SCHEMBL30289956 1.00 F12 (0.47) F12F2
SCHEMBL5301574 0.91 F12 (0.41) F12
SCHEMBL6629846 0.84 KCNH2 (0.50)
SCHEMBL27544373 0.84 F12 (0.44) F12F2
Hydrochloric Acid SCHEMBL2258244 0.83 KCNH2 (0.49)
SCHEMBL10472776 0.81 F12 (0.47) F12F2
SCHEMBL19643872 0.81 SLC6A2 (0.38) F12
SCHEMBL768993 0.80 F12 (0.42) F12F2
SCHEMBL768982 0.80 ALDH1A1 (0.54) F12F2
SCHEMBL30899479 0.80 ALDH1A1 (0.54) F12F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630770-B1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
US-11603349-B2 Anti-fibrotic compounds CERTA THERAPEUTICS PTY LTD (AU) 2023-03-14 US disclosed
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-02-28 US disclosed
CN-109475530-B Aminoacyl indazole immunomodulators for treating autoimmune diseases 洛克菲勒大学 2022-03-01 CN disclosed
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS CERTA THERAPEUTICS PTY LTD (AU) 2021-08-12 US disclosed
US-11014873-B2 Anti-fibrotic compounds CERTA THERAPEUTICS PTY LTD. (AU) 2021-05-25 US disclosed
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 US disclosed
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 US disclosed
EP-3630770-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS Relay Therapeutics, Inc. (US) 2020-04-08 EP disclosed
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS SHIRE HUMAN GENETIC THERAPIES, INC. 2020-02-20 US disclosed
WO-2017123518-A1 AMINOTRIAZOLE IMMUNOMODULATORS FOR TREATING AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-07-20 WO disclosed
WO-2017123518-A1 AMINOTRIAZOLE IMMUNOMODULATORS FOR TREATING AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-07-20 WO disclosed
CN-103080104-B N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein NOVARTIS AG 2015-04-08 CN disclosed
US-8309734-B2 Substituted pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
EP-2356094-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
WO-2010049302-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 WO disclosed
US-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-04-29 US disclosed
US-5112836-A Autoimmune diseases, antirheumatic agents and metabolic bone diseases KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-05-12 US disclosed
CN-1048216-A Novel ring o-amino benzoyl acid carboxylic acid derivatives SHU OGIHARA CO LTD (JP) 1991-01-02 CN disclosed
EP-0403980-A1 Novel cyclic anthranilic acid carboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-12-27 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 (7 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-11603349-B2 Anti-fibrotic compounds TGFB1, SMAD3, TGFB2 F12 1476/4885F2 1087/4885
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPRJ, PTPN2, PTPN5 F12 4555/4885F2 4738/4885
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, TGFB2 F12 1476/4885F2 1087/4885
US-11014873-B2 Anti-fibrotic compounds TGFB1, SMAD3, SMAD2 F12 1499/4885F2 1217/4885
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN1 F12 4405/4885F2 4731/4885
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, SMAD2 F12 603/4885F2 305/4885
US-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES GPBAR1, GPR119, GLP1R F12 2023/4885F2 2502/4885

“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.