SCHEMBL1284631

SCHEMBL1284631

CCO/C=C/c1cnc(Cl)nc1NCCCNC(=O)C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 17/20 0.44
STK17A Q9UEE5 2/20 0.44
STK17B O94768 1/20 0.44
CDK2 P24941 1/20 0.43
MARK3 P27448 1/20 0.43
IKBKE Q14164 1/20 0.43
BRSK2 Q8IWQ3 1/20 0.43
AURKB Q96GD4 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDPK1 O15530 3/20 0.41
MTNR1A P48039 1/20 0.39

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
SCHEMBL13189604 0.90 TBK1 (0.44) TBK1STK17ACDK2MARK3IKBKE
SCHEMBL1617905 0.87 TBK1 (0.47) TBK1STK17ASTK17BCDK2MARK3
SCHEMBL23331347 0.80 TBK1 (0.50) TBK1STK17ASTK17BCDK2MARK3
SCHEMBL22818572 0.80 STK17B (0.59) TBK1STK17ASTK17BCDK2MARK3
SCHEMBL4182957 0.79 STK17A (0.38) STK17ASTK17BKDM4EALDH1A1LMNA
SCHEMBL15188869 0.78 TBK1 (0.50) TBK1STK17ASTK17BCDK2MARK3
SCHEMBL1284852 0.78 TBK1 (0.61) TBK1STK17ASTK17BCDK2MARK3
SCHEMBL22818574 0.78 ULK1 (0.52) TBK1STK17ASTK17BCDK2MARK3
SCHEMBL3715709 0.78 STK17A (0.39) STK17ASTK17BALDH1A1
SCHEMBL1284433 0.77 STK17B (0.46) STK17ASTK17BLMNAMAPT

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-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP disclosed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 EP 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-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MARK3, MAPK8, CDK8 TBK1 17/4885STK17A 64/4885STK17B 171/4885

“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.