Sugi Predict

Sugi Predict / Compounds / SCHEMBL506044

SCHEMBL506044

SCHEMBL506044

CC(C)n1cc(Br)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ PTGS2 P35354 1/20 0.36
▸ BMPR1A P36894 12/20 0.35
▸ ACVRL1 P37023 12/20 0.35
▸ ACVR1 Q04771 12/20 0.35
▸ BMPR1B O00238 11/20 0.35
▸ TGFBR1 P36897 10/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ PDE4B Q07343 1/20 0.33

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
SCHEMBL22655366 0.80 BMPR1B (0.39) PTGS2BMPR1AACVRL1ACVR1BMPR1B
SCHEMBL506398 0.79 PTGS2 (0.35) PTGS2
SCHEMBL506213 0.79 PTGS2 (0.45) PTGS2ALDH1A1
SCHEMBL505992 0.79 PTGS2 (0.35) PTGS2ALDH1A1LMNA
SCHEMBL22552042 0.79 ALDH1A1 (0.33) PTGS2ALDH1A1LMNAHTT
SCHEMBL589562 0.78 PTGS2 (0.49) PTGS2ALDH1A1LMNA
SCHEMBL22655338 0.78 PTGS2 (0.31) PTGS2
SCHEMBL506014 0.77 MEN1 (0.33) PTGS2ALDH1A1
SCHEMBL28645389 0.76 ALDH1A1 (0.38) ALDH1A1LMNA
SCHEMBL1106491 0.76 KDM4E (0.44) ADORA2AADORA1PTGS2BMPR1AACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304577-A1 TYK2 INHIBITORS BIOGEN MA INC. 2025-10-02 — — US disclosed
EP-4522612-A1 TYK2 INHIBITORS Biogen MA Inc. (US) 2025-03-19 — — EP disclosed
CN-119654322-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2025-03-18 — — CN disclosed
CN-115703760-B 2, 4-Disubstituted pyrimidine cyclin dependent kinase enzyme inhibitor and preparation method and application thereof 山东大学 2024-05-31 — — CN disclosed
CN-117886801-B Pyridone pyrimidine CDK inhibitor, and preparation method and application thereof 中国药科大学 2024-05-17 — — CN disclosed
CN-117886801-A Pyridone pyrimidine CDK inhibitor, and preparation method and application thereof 中国药科大学 2024-04-16 — — CN disclosed
WO-2023220046-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2023-11-16 — — WO disclosed
WO-2023146512-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
CN-111433195-B Pyridone derivatives and their use as selective ALK-2 inhibitors 诺华股份有限公司 2023-04-25 — — CN disclosed
US-11629147-B2 Triazolo-pyrimidine compounds and uses thereof DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-04-18 — — US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 — — US disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 — — WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 — — WO disclosed
US-20080269287-A1 Substituted Pyridone Derivative MSD K.K. (JP) 2008-10-30 — — US disclosed
US-7407961-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2008-08-05 — — US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 — — US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 — — EP disclosed
EP-1820797-A1 SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-22 — — EP disclosed
CN-1871231-A Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC (JP) 2006-11-29 — — CN disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 — — 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 (6 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-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 ADORA2A 1/4885ADORA1 3/4885PTGS2 379/4885
US-20250304577-A1 TYK2 INHIBITORS TYK2, JAK2, JAK1 ADORA2A 3773/4885ADORA1 4572/4885PTGS2 2866/4885
US-11629147-B2 Triazolo-pyrimidine compounds and uses thereof ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 4/4885PTGS2 2135/4885
US-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 ADORA2A 431/4885ADORA1 64/4885PTGS2 2134/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 ADORA2A 3742/4885ADORA1 3199/4885PTGS2 2274/4885
US-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 ADORA2A 379/4885ADORA1 31/4885PTGS2 1703/4885

“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.