SCHEMBL162420

SCHEMBL162420

COC(=O)c1cc2ccncc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.65
GSK3A P49840 2/20 0.65
GSK3B P49841 2/20 0.65
DYRK1A Q13627 2/20 0.65
AURKB Q96GD4 2/20 0.65
CHEK1 O14757 1/20 0.65
AURKA O14965 1/20 0.65
DAPK3 O43293 1/20 0.65
PRKD3 O94806 1/20 0.65
MAP4K4 O95819 1/20 0.65
PAK4 O96013 1/20 0.65
ABL1 P00519 1/20 0.65
RET P07949 1/20 0.65
PIM1 P11309 1/20 0.65
FGFR1 P11362 1/20 0.65
PRKACA P17612 1/20 0.65
FLT1 P17948 1/20 0.65
LTK P29376 1/20 0.65
GRK5 P34947 1/20 0.65
KDR P35968 1/20 0.65

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
SCHEMBL30980399 1.00 CDK8 (0.65) CDK8GSK3AGSK3BDYRK1AAURKB
SCHEMBL160500 0.88 CDK8 (0.49) CDK8GSK3AGSK3BDYRK1AAURKB
SCHEMBL842776 0.84 GSK3B (0.60) CDK8GSK3AGSK3BDYRK1AAURKB
SCHEMBL29374201 0.84 GSK3B (0.60) CDK8GSK3AGSK3BDYRK1AAURKB
SCHEMBL30514630 0.83 AURKA (0.73) CDK8GSK3AGSK3BDYRK1AAURKB
SCHEMBL844094 0.83 AURKA (0.73) CDK8GSK3AGSK3BDYRK1AAURKB
SCHEMBL13977223 0.82 DYRK1A (0.71) CDK8GSK3AGSK3BDYRK1AAURKB
SCHEMBL26564672 0.81 CHEK1 (0.65) CDK8GSK3AGSK3BDYRK1AAURKB
SCHEMBL7621269 0.81 CDK8 (0.65) CDK8GSK3AGSK3BDYRK1AAURKB
SCHEMBL5550334 0.80 CHEK1 (0.56) CDK8GSK3AGSK3BDYRK1AAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-20240208952-A1 THIOPHENE GLP-1 RECEPTOR AGONIST AND USE THEREOF HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 US disclosed
WO-2024032715-A1 HYDRAZIDE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳微芯生物科技股份有限公司 2024-02-15 WO disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-11485745-B2 Amido spirocyclic amide and sulfonamide derivatives VALO HEALTH, INC. (US) 2022-11-01 US disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 US disclosed
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO HEALTH, INC. 2021-06-10 US disclosed
US-20210154192-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2021-05-27 US disclosed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed
EP-2167504-A2 THIADIAZOLE MODULATORS OF PKB Amgen, Inc (US) 2010-03-31 EP disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed
EP-1753428-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2007-02-21 EP disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 US disclosed
WO-2005110410-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-11-24 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 (12 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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 CDK8 181/4885GSK3A 453/4885GSK3B 462/4885
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 CDK8 1414/4885GSK3A 4104/4885GSK3B 4564/4885
US-11485745-B2 Amido spirocyclic amide and sulfonamide derivatives STS, AADAC, SULT2A1 CDK8 1414/4885GSK3A 4104/4885GSK3B 4564/4885
US-20210154192-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 CDK8 2388/4885GSK3A 1051/4885GSK3B 909/4885
US-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR CDK8 592/4885GSK3A 246/4885GSK3B 138/4885
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT CDK8 1324/4885GSK3A 677/4885GSK3B 578/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 CDK8 1540/4885GSK3A 609/4885GSK3B 527/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 CDK8 1540/4885GSK3A 609/4885GSK3B 527/4885
US-20240208952-A1 THIOPHENE GLP-1 RECEPTOR AGONIST AND USE THEREOF GLP1R, GIPR, GCGR CDK8 2463/4885GSK3A 1450/4885GSK3B 1118/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 CDK8 1927/4885GSK3A 73/4885GSK3B 86/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CDK8 1580/4885GSK3A 1286/4885GSK3B 1154/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CDK8 1580/4885GSK3A 1286/4885GSK3B 1154/4885

“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.