SCHEMBL3590041

SCHEMBL3590041

CCN1CCN(c2nc(Nc3ccc(S(C)(=O)=O)cc3)c3ncn(-c4cscn4)c3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
CDK13 Q14004 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
LMNA P02545 1/20 0.41
SYK P43405 2/20 0.40
PTK2 Q05397 2/20 0.40
ABL1 P00519 3/20 0.39
SRC P12931 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAD52 P43351 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
FLT3 P36888 5/20 0.37
JAK2 O60674 1/20 0.36
KDM2B Q8NHM5 1/20 0.36

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
SCHEMBL1590587 0.88 CSNK1D (0.51) CSNK1DCSNK1ECDK13CDK12SYK
SCHEMBL1590726 0.83 CSNK1D (0.38) CSNK1DCSNK1ECDK13CDK12SYK
SCHEMBL1591130 0.82 CSNK1D (0.45) CSNK1DCSNK1ECDK13CDK12SYK
SCHEMBL1590513 0.82 CSNK1D (0.41) CSNK1DCSNK1ECDK13CDK12SYK
SCHEMBL1590512 0.82 CSNK1D (0.41) CSNK1DCSNK1ECDK13CDK12SYK
SCHEMBL1590813 0.82 CSNK1D (0.41) CSNK1DCSNK1ECDK13CDK12SYK
SCHEMBL1591687 0.77 SRC (0.58) CSNK1DCSNK1ECDK13CDK12ABL1
SCHEMBL1591535 0.75 EGFR (0.41) CSNK1DCSNK1ECDK13CDK12ABL1
SCHEMBL1591536 0.75 EGFR (0.41) CSNK1DCSNK1ECDK13CDK12ABL1
SCHEMBL4444408 0.74 AXL (0.36) SYKPTK2L3MBTL1JAK2

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
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US claimed
EP-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP claimed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO claimed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US disclosed
EP-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP disclosed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 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-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK CSNK1D 1542/4885CSNK1E 1264/4885CDK13 405/4885

“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.