SCHEMBL1808883

SCHEMBL1808883

O=C1NC(=Cc2ccc3nccnc3c2)C(=O)S1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 8/20 0.69
DYRK1A Q13627 8/20 0.69
DYRK2 Q92630 7/20 0.69
DYRK1B Q9Y463 7/20 0.69
CSNK2A2 P19784 6/20 0.69
CSNK2B P67870 5/20 0.69
CSNK2A1 P68400 5/20 0.69
CISD1 Q9NZ45 5/20 0.69
PIK3CD O00329 4/20 0.69
PIK3CA P42336 4/20 0.69
PIK3CG P48736 4/20 0.69
PIK3CB P42338 2/20 0.69
MTOR P42345 2/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
MAOB P27338 2/20 0.69
CLK4 Q9HAZ1 4/20 0.46
CLK2 P49760 3/20 0.46
CLK3 P49761 3/20 0.46
GSK3B P49841 3/20 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
SCHEMBL29358448 0.82 CISD1 (1.00) CLK1DYRK1ADYRK2DYRK1BCSNK2A2
SCHEMBL16416224 0.82 CISD1 (1.00) CLK1DYRK1ADYRK2DYRK1BCSNK2A2
SCHEMBL668617 0.82 CISD1 (1.00) CLK1DYRK1ADYRK2DYRK1BCSNK2A2
SCHEMBL668616 0.82 CISD1 (1.00) CLK1DYRK1ADYRK2DYRK1BCSNK2A2
SCHEMBL13739026 0.77 PIK3CA (0.76) CLK1DYRK1ADYRK2DYRK1BCSNK2A2
SCHEMBL27224263 0.77 PIK3CA (0.76) CLK1DYRK1ADYRK2DYRK1BCSNK2A2
SCHEMBL24904264 0.75 CSNK2A2 (0.64) CLK1DYRK1ADYRK2DYRK1BCSNK2A2
SCHEMBL30363450 0.75 CSNK2A2 (0.64) CLK1DYRK1ADYRK2DYRK1BCSNK2A2
SCHEMBL7510151 0.73 CSNK2A2 (0.45) CLK1DYRK1ADYRK2DYRK1BCSNK2A2
SCHEMBL6785387 0.73 IGF1R (0.67) CLK1DYRK1ADYRK2DYRK1BCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110799245-B Compositions and methods for treating cancer with atypical BRAF mutations 生物医学谷探索股份有限公司 2022-08-09 CN claimed
CN-106211755-B Cancer treatment using a combination of ERK and RAF inhibitors 生物医学谷探索股份有限公司 2021-06-22 CN claimed
CN-110799245-A Compositions and methods for treating cancers with atypical BRAF mutations 生物医学谷探索股份有限公司 2020-02-14 CN claimed
US-20120231015-A1 FRAGILE X MENTAL RETARDATION PROTEIN (FMRP), COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2012-09-13 US claimed
WO-2011056930-A2 FRAGILE X MENTAL RETARDATION PROTEIN (FMRP), COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2011-05-12 WO claimed
CN-116583532-A Bispecific HER-2 targeting compositions and methods of making and using the same 阿穆尼克斯制药公司 2023-08-11 CN disclosed
CN-110799245-B Compositions and methods for treating cancer with atypical BRAF mutations 生物医学谷探索股份有限公司 2022-08-09 CN disclosed
CN-106211755-B Cancer treatment using a combination of ERK and RAF inhibitors 生物医学谷探索股份有限公司 2021-06-22 CN disclosed
CN-111386264-A Compounds, compositions and methods for treating T-cell acute lymphoblastic leukemia 纽约市哥伦比亚大学理事会 2020-07-07 CN disclosed
CN-110799245-A Compositions and methods for treating cancers with atypical BRAF mutations 生物医学谷探索股份有限公司 2020-02-14 CN disclosed
US-10105351-B2 Neurofibromatoses therapeutic agents and screening for same UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2018-10-23 US disclosed
EP-2825209-B1 NEUROFIBROMATOSES THERAPEUTIC AGENTS AND SCREENING FOR SAME UNIV CENTRAL FLORIDA RES FOUND INC (US) 2018-08-29 EP disclosed
US-20150065554-A1 NEUROFIBROMATOSES THERAPEUTIC AGENTS AND SCREENING FOR SAME UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-03-05 US disclosed
EP-2825209-A1 NEUROFIBROMATOSES THERAPEUTIC AGENTS AND SCREENING FOR SAME University of Central Florida Research Foundation, Inc. (US) 2015-01-21 EP disclosed
WO-2013138463-A1 NEUROFIBROMATOSES THERAPEUTIC AGENTS AND SCREENING FOR SAME UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-09-19 WO disclosed
US-20120231015-A1 FRAGILE X MENTAL RETARDATION PROTEIN (FMRP), COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2012-09-13 US disclosed
WO-2011056930-A2 FRAGILE X MENTAL RETARDATION PROTEIN (FMRP), COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2011-05-12 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 (2 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-20150065554-A1 NEUROFIBROMATOSES THERAPEUTIC AGENTS AND SCREENING FOR SAME VHL, DIAPH1, TSG101 CLK1 2086/4885DYRK1A 2041/4885DYRK2 2150/4885
US-10105351-B2 Neurofibromatoses therapeutic agents and screening for same VHL, DIAPH1, TSG101 CLK1 2086/4885DYRK1A 2041/4885DYRK2 2150/4885

“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.