SCHEMBL4933955

SCHEMBL4933955

NC(=O)c1ccc(N2CCNCC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 6/20 0.55
▸ CHRNA4 P43681 6/20 0.55
▸ HDAC2 Q92769 2/20 0.52
▸ HDAC3 O15379 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ AOC3 Q16853 1/20 0.51
▸ HDAC1 Q13547 1/20 0.49
▸ ACVR1 Q04771 1/20 0.49
▸ HRH3 Q9Y5N1 3/20 0.48
▸ PARP1 P09874 2/20 0.47
▸ TNKS O95271 1/20 0.47
▸ PARP6 Q2NL67 1/20 0.47
▸ PARP2 Q9UGN5 1/20 0.47
▸ PARP3 Q9Y6F1 1/20 0.47
▸ PIM1 P11309 1/20 0.46
▸ PIM3 Q86V86 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL30385503 1.00 CHRNB2 (0.55) CHRNB2CHRNA4HDAC2HDAC3KCNH2
Hydrochloric Acid SCHEMBL4935417 0.98 CHRNB2 (0.54) CHRNB2CHRNA4HDAC2HDAC3KCNH2
Hydrochloric Acid SCHEMBL30218640 0.98 CHRNB2 (0.54) CHRNB2CHRNA4HDAC2HDAC3KCNH2
SCHEMBL24881253 0.86 CHRNB2 (0.57) CHRNB2CHRNA4HDAC2HDAC3KCNH2
SCHEMBL28145051 0.85 HRH3 (0.54) CHRNB2CHRNA4HRH3PARP1TNKS
SCHEMBL18553767 0.85 SCN9A (0.54) CHRNB2CHRNA4HDAC2HDAC3KCNH2
SCHEMBL18673192 0.84 CHRNB2 (0.55) CHRNB2CHRNA4HDAC2HDAC3KCNH2
SCHEMBL15651285 0.84 HRH3 (0.53) CHRNB2CHRNA4HRH3PARP1TNKS
SCHEMBL25738207 0.81 HRH3 (0.49) HDAC1HRH3PARP1TNKSPARP6
SCHEMBL15652963 0.81 POLB (0.52) HRH3PARP1TNKSPARP6PARP2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 — — US claimed
EP-1781647-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2007-05-09 — — EP claimed
WO-2006008545-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-26 — — WO claimed
CN-118344338-A Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for the treatment of lymphomas 细胞基因公司 2024-07-16 — — CN disclosed
US-20240217955-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2024-07-04 — — US disclosed
CN-113214220-B Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for the treatment of lymphomas 细胞基因公司 2024-04-02 — — CN disclosed
CN-111989322-B Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for the treatment of lymphomas 细胞基因公司 2024-04-02 — — CN disclosed
US-11945804-B2 Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith CELGENE CORPORATION (US) 2024-04-02 — — US disclosed
EP-4272737-A2 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND THEIR USE FOR TREATING LYMPHOMA Celgene Corporation (US) 2023-11-08 — — EP disclosed
EP-3784663-B1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND THEIR USE FOR TREATING LYMPHOMA CELGENE CORP (US) 2023-07-12 — — EP disclosed
US-20220306611-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2022-09-29 — — US disclosed
US-11358952-B2 Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith CELGENE CORPORATION (US) 2022-06-14 — — US disclosed
CN-113214220-A Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for treating lymphomas 细胞基因公司 2021-08-06 — — CN disclosed
EP-3784663-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND THEIR USE FOR TREATING LYMPHOMA Celgene Corporation (US) 2021-03-03 — — EP disclosed
CN-111989322-A Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for treating lymphomas 细胞基因公司 2020-11-24 — — CN disclosed
US-20190322647-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2019-10-24 — — US disclosed
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 — — US disclosed
EP-1781647-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2007-05-09 — — EP disclosed
WO-2006008545-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-26 — — 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 (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-11945804-B2 Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith AANAT, HTR2C, AADAT CHRNB2 459/4885CHRNA4 323/4885HDAC2 271/4885
US-20240217955-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH AANAT, HTR2C, AADAT CHRNB2 459/4885CHRNA4 323/4885HDAC2 271/4885
US-20190322647-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH AANAT, HTR2C, AADAT CHRNB2 459/4885CHRNA4 323/4885HDAC2 271/4885
US-20080167309-A1 Pharmaceutical Compounds CCNO, CDK2, CDK1 CHRNB2 1268/4885CHRNA4 1874/4885HDAC2 500/4885
US-11358952-B2 Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith AANAT, HTR2C, AADAT CHRNB2 459/4885CHRNA4 323/4885HDAC2 271/4885
US-20220306611-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH AANAT, HTR2C, AADAT CHRNB2 459/4885CHRNA4 323/4885HDAC2 271/4885

“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.

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