SCHEMBL3583708

SCHEMBL3583708

CN(C)c1cccc(CNC=O)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.42
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE10A Q9Y233 1/20 0.36
ACACB O00763 1/20 0.34
NCF1 P14598 1/20 0.33
CXCR4 P61073 2/20 0.33
ITGB1 P05556 1/20 0.32
ITGA5 P08648 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 1/20 0.32
HSD11B1 P28845 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL1037317 0.79 HTR1A (0.42) HTR1ANPSR1PDE10AACACBNCF1
SCHEMBL13680826 0.78 PDE10A (0.42) HTR1ANPSR1PDE10AACACBNCF1
Hydrochloric Acid SCHEMBL34473447 0.77 PDE10A (0.38) HTR1ANPSR1PDE10AACACBNCF1
SCHEMBL3583705 0.77 HTR1A (0.41) HTR1ANPSR1PDE10AACACBNCF1
SCHEMBL29675768 0.75 NPSR1 (0.72) HTR1ANPSR1PDE10AACACBITGB1
SCHEMBL14478362 0.75 TRPV3 (0.39) HTR1ANPSR1PDE10AACACBNCF1
SCHEMBL16332519 0.74 KDM1A (0.44) ADH1BADH1CADH1AADH7NPSR1
SCHEMBL14049891 0.74 ADH1B (0.42) ADH1BADH1CADH1AADH7NPSR1
SCHEMBL14626155 0.73 KDM1A (0.48) ADH1BADH1CADH1AADH7NPSR1
SCHEMBL3081412 0.73 ADH1B (0.39) ADH1BADH1CADH1AADH7NPSR1

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 HTR1A 3179/4885ADH1B 3376/4885ADH1C 4568/4885

“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.