SCHEMBL3584532

SCHEMBL3584532

CS(=O)(=O)c1ccc(Nc2nc(NCc3ccccn3)nc3c2ncn3-c2ccsc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.45
PTK2 Q05397 2/20 0.45
PDE5A O76074 3/20 0.40
CDK4 P11802 11/20 0.39
CCND1 P24385 11/20 0.39
CCNE1 P24864 11/20 0.39
CDK2 P24941 11/20 0.39
CDK7 P50613 11/20 0.39
CCNH P51946 11/20 0.39
CDK1 P06493 8/20 0.39
CCNB1 P14635 8/20 0.39
MAPK1 P28482 4/20 0.39
CSNK1D P48730 1/20 0.37
GAA P10253 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
KCNH2 Q12809 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
SCHEMBL12703912 0.88 JAK2 (0.45) JAK2PTK2PDE5ACDK4CCND1
SCHEMBL4438464 0.85 JAK2 (0.34) JAK2PTK2CCNE1CDK2PIP4K2C
SCHEMBL12703920 0.75 FLT3 (0.57) JAK2PTK2
SCHEMBL3582047 0.75 CSNK1D (0.51) CDK4CCND1CCNE1CDK2CDK7
SCHEMBL12703696 0.74 PTK2 (0.46) JAK2PTK2CDK2CDK1GAA
SCHEMBL4436776 0.73 JAK2 (0.35) JAK2PTK2PDE5ACCNE1CDK2
SCHEMBL1591527 0.71 JAK2 (0.37) JAK2PTK2PDE5ACCNE1CDK2
SCHEMBL3596346 0.70 NR2F2 (0.44) PTK2CSNK1D
SCHEMBL3596199 0.67 CDK1 (0.55) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL6470656 0.67 CCNE2 (0.37) PDE5ACCNE1CDK2

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 JAK2 629/4885PTK2 383/4885PDE5A 601/4885

“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.