SCHEMBL3580494

SCHEMBL3580494

CN(C)CCN(C)C(=O)c1ccc(Nc2nc(NC3CCC4(CC3)OCCO4)nc3c2ncn3-c2cccc(F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.43
CSNK1D P48730 2/20 0.42
CSNK1E P49674 2/20 0.42
SRC P12931 1/20 0.39
EGFR P00533 3/20 0.39
PDGFRA P16234 2/20 0.38
CDK2 P24941 2/20 0.38
FLT3 P36888 1/20 0.38
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNE1 P24864 1/20 0.37
NPY5R Q15761 1/20 0.37
ABL1 P00519 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL4565750 0.81 CSNK1D (0.47) CDK1CSNK1DCSNK1EPDGFRACDK2
SCHEMBL3591938 0.77 CSNK1D (0.47) CSNK1DCSNK1ESRC
SCHEMBL3585124 0.73 CDK1 (0.48) CDK1CSNK1DCSNK1EPDGFRACDK2
SCHEMBL3585775 0.72 CDK1 (0.54) CDK1CSNK1DCSNK1ESRCPDGFRA
SCHEMBL3592810 0.72 CDK1 (0.44) CDK1CSNK1DCSNK1ESRCPDGFRA
SCHEMBL3595696 0.70 CDK1 (0.59) CDK1SRCPDGFRACDK2FLT3
SCHEMBL3598513 0.68 CDK2 (0.45) CDK1CSNK1DCSNK1ECDK2CDK5
SCHEMBL3597523 0.67 CSNK1D (0.48) CSNK1DCSNK1EABL1BTK
SCHEMBL3591847 0.65 GRM5 (0.49) CSNK1DCDK2CCNE1
SCHEMBL3589147 0.65 CSNK1D (0.46) CSNK1DCSNK1E

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.