SCHEMBL3585124

SCHEMBL3585124

CN(C)CC1CCC(Nc2nc(Nc3ccc(S(C)(=O)=O)cc3)c3ncn(-c4cccc(F)c4)c3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.48
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46
ABL1 P00519 2/20 0.43
BTK Q06187 2/20 0.43
PRKCA P17252 1/20 0.40
PDGFRA P16234 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 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
SCHEMBL3592810 0.90 CDK1 (0.44) CDK1CSNK1DCSNK1EABL1BTK
SCHEMBL3595696 0.89 CDK1 (0.59) CDK1PRKCAPDGFRACCNE1CDK2
SCHEMBL3586487 0.76 ABL1 (0.39) CDK1CSNK1DCSNK1EABL1BTK
SCHEMBL3588335 0.75 BTK (0.48) CSNK1DCSNK1EABL1BTK
SCHEMBL3580494 0.73 CDK1 (0.43) CDK1CSNK1DCSNK1EABL1BTK
SCHEMBL3601333 0.73 AURKA (0.39) CDK1CSNK1DCSNK1EBTK
SCHEMBL3585775 0.73 CDK1 (0.54) CDK1CSNK1DCSNK1EPDGFRACCNE1
SCHEMBL3593099 0.73 CSNK1D (0.44) CSNK1DCSNK1EABL1BTK
SCHEMBL3593103 0.71 CSNK1D (0.45) CSNK1DCSNK1E
SCHEMBL4439037 0.69 CSNK1D (0.43) CDK1CSNK1DCSNK1EABL1BTK

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 CDK1 146/4885CSNK1D 1542/4885CSNK1E 1264/4885

“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.