SCHEMBL3586487

SCHEMBL3586487

CS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(C=O)cn3)nc3c2ncn3-c2cccc(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.39
BTK Q06187 2/20 0.39
NPC1 O15118 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CSNK1D P48730 6/20 0.38
CSNK1E P49674 3/20 0.38
CDK1 P06493 5/20 0.38
PTGS2 P35354 1/20 0.36
PDE5A O76074 1/20 0.36
RIPK2 O43353 1/20 0.36
ACVR1 Q04771 1/20 0.36
NOD2 Q9HC29 1/20 0.36
AURKA O14965 1/20 0.36
CDK4 P11802 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
SCHEMBL4439037 0.82 CSNK1D (0.43) ABL1BTKNPC1CDK5CDK5R1
SCHEMBL3587372 0.80 CSNK1D (0.41) ABL1BTKNPC1CDK5CDK5R1
SCHEMBL3600080 0.78 CSNK1D (0.41) ABL1BTKNPC1CDK5CDK5R1
SCHEMBL3588335 0.78 BTK (0.48) ABL1BTKCSNK1DCSNK1EPDE5A
SCHEMBL3595696 0.78 CDK1 (0.59) CDK1
SCHEMBL3601333 0.78 AURKA (0.39) BTKNPC1CDK5CDK5R1CSNK1D
SCHEMBL3585124 0.76 CDK1 (0.48) ABL1BTKCSNK1DCSNK1ECDK1
SCHEMBL3591847 0.73 GRM5 (0.49) NPC1CSNK1D
SCHEMBL3593099 0.72 CSNK1D (0.44) ABL1BTKCSNK1DCSNK1E
SCHEMBL3593103 0.72 CSNK1D (0.45) CSNK1DCSNK1ECDK4

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 ABL1 149/4885BTK 381/4885NPC1 2011/4885

“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.