SCHEMBL668617

SCHEMBL668617

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 5/20 1.00
CLK1 P49759 4/20 1.00
DYRK1A Q13627 4/20 1.00
PIK3CD O00329 3/20 1.00
CSNK2A2 P19784 3/20 1.00
PIK3CA P42336 3/20 1.00
PIK3CG P48736 3/20 1.00
DYRK2 Q92630 3/20 1.00
DYRK1B Q9Y463 3/20 1.00
RAB9A P51151 3/20 1.00
MAOB P27338 3/20 1.00
PIK3CB P42338 2/20 1.00
MTOR P42345 2/20 1.00
NPC1 O15118 2/20 1.00
CSNK2B P67870 2/20 1.00
CSNK2A1 P68400 2/20 1.00
GSK3B P49841 3/20 0.62
MAOA P21397 3/20 0.62
PIM1 P11309 8/20 0.62
CLK2 P49760 2/20 0.62

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
SCHEMBL668616 1.00 CISD1 (1.00) CISD1CLK1DYRK1APIK3CDCSNK2A2
SCHEMBL16416224 1.00 CISD1 (1.00) CISD1CLK1DYRK1APIK3CDCSNK2A2
SCHEMBL29358448 1.00 CISD1 (1.00) CISD1CLK1DYRK1APIK3CDCSNK2A2
SCHEMBL497027 0.87 CISD1 (0.77) CISD1CLK1DYRK1APIK3CDCSNK2A2
SCHEMBL2883203 0.87 CLK1 (0.77) CISD1CLK1DYRK1APIK3CDCSNK2A2
SCHEMBL497028 0.87 CISD1 (0.77) CISD1CLK1DYRK1APIK3CDCSNK2A2
SCHEMBL2883201 0.87 CLK1 (0.77) CISD1CLK1DYRK1APIK3CDCSNK2A2
SCHEMBL2882802 0.83 PIM1 (0.79) CISD1CLK1DYRK1APIK3CDCSNK2A2
SCHEMBL2882800 0.83 PIM1 (0.79) CISD1CLK1DYRK1APIK3CDCSNK2A2
SCHEMBL1808883 0.82 CLK1 (0.69) CISD1CLK1DYRK1APIK3CDCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4389225-A2 CANCER TREATMENTS USING COMBINATIONS OF TYPE 2 MEK AND ERK INHIBITORS Biomed Valley Discoveries, Inc. (US) 2024-06-26 EP claimed
EP-3082779-B1 CANCER TREATMENTS USING COMBINATIONS OF TYPE 2 MEK AND ERK INHIBITORS BIOMED VALLEY DISCOVERIES INC (US) 2023-06-07 EP claimed
US-20220112625-A1 Diagnosing and Treating Neurological and Autoimmune Diseases by Optimizing Metabolic Responses POSTREL RICHARD (US) 2022-04-14 US claimed
EP-3082800-B1 CANCER TREATMENT USING COMBINATIONS OF ERK AND RAF INHIBITORS BIOMED VALLEY DISCOVERIES INC (US) 2022-02-02 EP claimed
US-11135225-B2 Cancer treatments using combinations of CDK and ERK inhibitors BIOMED VALLEY DISCOVERIES, INC. (US) 2021-10-05 US claimed
US-11013743-B2 Cancer treatments using combinations of CDK and ERK inhibitors BIOMED VALLEY DISCOVERIES, INC. (US) 2021-05-25 US claimed
US-11007184-B2 Cancer treatments using combinations of type 2 MEK and ERK inhibitors BIOMED VALLEY DISCOVERIES, INC. (US) 2021-05-18 US claimed
US-20210085663-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH ATYPICAL BRAF MUTATIONS BIOMED VALLEY DISCOVERIES, INC. 2021-03-25 US claimed
US-20210038587-A1 METHODS AND COMPOSITIONS FOR TREATING NON-ERK MAPK PATHWAY INHIBITOR-RESISTANT CANCERS BIOMED VALLEY DISCOVERIES, INC. 2021-02-11 US claimed
US-10881646-B2 Methods and compositions for treating non-ERK MAPK pathway inhibitor-resistant cancers BIOMED VALLEY DISCOVERIES, INC. (US) 2021-01-05 US claimed
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia MERCK SERONO SA (CH) 2009-02-12 US claimed
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis LABORATORIES SERONO SA (CH) 2008-12-11 US claimed
EP-1931424-A2 P13K INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2008-06-18 EP claimed
EP-1807075-A2 PI3 KINASE GAMMA INHIBITORS FOR THE TREATMENT OF ANAEMIA Applied Research Systems ARS Holding N.V. (AN) 2007-07-18 EP claimed
WO-2007030360-A2 P13K INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2007-03-15 WO claimed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US claimed
WO-2006040318-A2 PI3 KINASE GAMMA INHIBITORS FOR THE TREATMENT OF ANAEMIA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-04-20 WO claimed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US claimed
EP-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP claimed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-11135225-B2 Cancer treatments using combinations of CDK and ERK inhibitors CDK3, CDK4, CDKL3 CISD1 1689/4885CLK1 534/4885DYRK1A 782/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 CISD1 2142/4885CLK1 826/4885DYRK1A 362/4885
US-10881646-B2 Methods and compositions for treating non-ERK MAPK pathway inhibitor-resistant cancers MAP3K1, MAP3K2, MAP3K6 CISD1 3293/4885CLK1 144/4885DYRK1A 836/4885
US-20210085663-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH ATYPICAL BRAF MUTATIONS BRAF, NRAS, KRAS CISD1 4295/4885CLK1 628/4885DYRK1A 1625/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 CISD1 4750/4885CLK1 843/4885DYRK1A 4508/4885
US-20210038587-A1 METHODS AND COMPOSITIONS FOR TREATING NON-ERK MAPK PATHWAY INHIBITOR-RESISTANT CANCERS MAP3K1, MAP3K2, MAP3K6 CISD1 3293/4885CLK1 144/4885DYRK1A 836/4885
US-11007184-B2 Cancer treatments using combinations of type 2 MEK and ERK inhibitors MAPK3, MAP3K2, MAP3K3 CISD1 1358/4885CLK1 685/4885DYRK1A 1230/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 CISD1 3440/4885CLK1 615/4885DYRK1A 1259/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B CISD1 2197/4885CLK1 4147/4885DYRK1A 3215/4885
US-11013743-B2 Cancer treatments using combinations of CDK and ERK inhibitors CDK3, CDK4, CDKL3 CISD1 1689/4885CLK1 534/4885DYRK1A 782/4885

“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.