SCHEMBL3598513

SCHEMBL3598513

Cc1ccc(Nc2nc(Nc3ccc(C(=O)N4CCC(N(C)C)C4)cc3)c3ncn(-c4cccc(F)c4)c3n2)nc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.45
CDK1 P06493 2/20 0.45
CDK4 P11802 2/20 0.42
CDK6 Q00534 2/20 0.42
CDK5 Q00535 1/20 0.42
NTRK1 P04629 1/20 0.41
JAK1 P23458 6/20 0.40
CSNK1D P48730 2/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
VNN1 O95497 1/20 0.39
CSNK1E P49674 1/20 0.39
JAK2 O60674 2/20 0.39
ABL1 P00519 1/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL3591847 0.88 GRM5 (0.49) CDK2NTRK1CSNK1D
SCHEMBL3589570 0.78 CSNK1D (0.41) CDK2CDK1CDK5CSNK1DCSNK1E
SCHEMBL4439037 0.75 CSNK1D (0.43) CDK2CDK1CDK5CSNK1DCSNK1E
SCHEMBL3587372 0.75 CSNK1D (0.41) CDK1CDK5CSNK1DCSNK1EABL1
SCHEMBL3585775 0.74 CDK1 (0.54) CDK2CDK1NTRK1CSNK1DCSNK1E
SCHEMBL3600080 0.71 CSNK1D (0.41) CDK1CDK5CSNK1DCSNK1EABL1
SCHEMBL3597523 0.70 CSNK1D (0.48) CDK4CDK6JAK1CSNK1DCDK12
SCHEMBL1590837 0.70 MCHR1 (0.41) CSNK1DCSNK1EBTK
SCHEMBL3586487 0.69 ABL1 (0.39) CDK1CDK4CDK5CSNK1DCSNK1E
SCHEMBL2890309 0.68 VNN1 (0.52) CDK2CDK1VNN1

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 CDK2 276/4885CDK1 146/4885CDK4 625/4885

“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.