SCHEMBL22291202

SCHEMBL22291202

CN(CCCO)C(=O)c1ccc(N2CCCN(c3ccnc(Cl)c3C#N)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 7/20 0.50
CDK19 Q9BWU1 5/20 0.42
RIOK2 Q9BVS4 2/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
GSK3A P49840 1/20 0.42
HASPIN Q8TF76 1/20 0.42
RXFP1 Q9HBX9 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
DRD4 P21917 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAP4K1 Q92918 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL30988055 1.00 CDK8 (0.50) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL25414437 0.87 CDK8 (0.44) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL22299065 0.87 CDK8 (0.64) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL24399380 0.81 CDK8 (0.46) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL22291200 0.79 CDK8 (0.66) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL30988058 0.79 CDK8 (0.66) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL25414555 0.76 CDK8 (0.44) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL31536424 0.76 CDK8 (0.44) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL22291196 0.74 CDK8 (0.78) CDK8CDK19RIOK2CSNK1A1CSNK1D
SCHEMBL22291203 0.74 CDK8 (0.64) CDK8CDK19RIOK2CSNK1A1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113677341-B Bicyclic pyridine compositions and methods for their use in cancer treatment 南卡罗莱纳大学 2024-07-05 CN disclosed
US-11572369-B2 Bicyclic pyridine compositions and methods of using the same for cancer therapy UNIVERSITY OF SOUTH CAROLINA (US) 2023-02-07 US disclosed
US-20220135583-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY UNIVERSITY OF SOUTH CAROLINA 2022-05-05 US disclosed
EP-3917523-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY University of South Carolina (US) 2021-12-08 EP disclosed
WO-2020160537-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY UNIVERSITY OF SOUTH CAROLINA (US) 2020-08-06 WO disclosed
WO-2020160537-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY UNIVERSITY OF SOUTH CAROLINA (US) 2020-08-06 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-20220135583-A1 BICYCLIC PYRIDINE COMPOSITIONS AND METHODS OF USING THE SAME FOR CANCER THERAPY DPYD, TK2, TYMP CDK8 289/4885CDK19 261/4885RIOK2 1878/4885
US-11572369-B2 Bicyclic pyridine compositions and methods of using the same for cancer therapy DPYD, TK2, TYMP CDK8 289/4885CDK19 261/4885RIOK2 1878/4885

“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.