SCHEMBL21159804

SCHEMBL21159804

Ic1cccc2c1[nH]c1c(I)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.48
GSK3B P49841 2/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
GSK3A P49840 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
AURKB Q96GD4 1/20 0.40
AURKC Q9UQB9 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KIF11 P52732 3/20 0.37
NOS1 P29475 1/20 0.37
PARP1 P09874 1/20 0.34
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 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
SCHEMBL23060722 0.87 KIF11 (0.57) DYRK1AGSK3BCLK1CLK2CLK4
SCHEMBL8135213 0.87 PARP1 (0.53) DYRK1AGSK3BCLK1CLK2CLK4
SCHEMBL3413882 0.84 KIF11 (0.59) DYRK1AGSK3BGSK3ACDK5CDK5R1
SCHEMBL29754924 0.84 KIF11 (0.59) DYRK1AGSK3BGSK3ACDK5CDK5R1
Iodide SCHEMBL23782008 0.82 KIF11 (0.57) DYRK1AGSK3BGSK3ACDK5CDK5R1
SCHEMBL19173330 0.82 DAO (0.39) DYRK1AGSK3BCLK1CLK2CLK4
SCHEMBL28359921 0.77 PDK2 (0.57) DYRK1AGSK3BCLK1CLK2CLK4
SCHEMBL21646227 0.77 AHR (0.64) DYRK1AGSK3BCLK1CLK2CLK4
SCHEMBL12086530 0.76 AHR (0.47) DYRK1AGSK3BCLK1CLK2CLK4
SCHEMBL28477872 0.74 PARP14 (0.48) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3735409-B1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS STRATOS GENOMICS INC (US) 2023-06-21 EP disclosed
US-20210062251-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS Roche Sequencing Solutions, Inc. 2021-03-04 US disclosed
WO-2020263703-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS STRATOS GENOMICS, INC. (US) 2020-12-30 WO disclosed
WO-2019135975-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS STRATOS GENOMICS INC. (US) 2019-07-11 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 (1 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-20210062251-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS POLN, POLB, POLRMT DYRK1A 2939/4885GSK3B 4867/4885CLK1 4868/4885

“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.