SCHEMBL3583705

SCHEMBL3583705

CN(C)c1cccc(CN[C]=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.41
NPSR1 Q6W5P4 1/20 0.39
ACACB O00763 1/20 0.36
PDE10A Q9Y233 1/20 0.36
HSD11B1 P28845 1/20 0.34
NCF1 P14598 1/20 0.33
CXCR4 P61073 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA5 P08648 1/20 0.32
CNR1 P21554 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
Hydrochloric Acid SCHEMBL34473447 0.77 PDE10A (0.38) HTR1ANPSR1ACACBPDE10AHSD11B1
SCHEMBL3583708 0.77 HTR1A (0.42) HTR1ANPSR1ACACBPDE10AHSD11B1
SCHEMBL1037317 0.76 HTR1A (0.42) HTR1ANPSR1ACACBPDE10ANCF1
SCHEMBL29675768 0.75 NPSR1 (0.72) HTR1ANPSR1ACACBPDE10AITGB1
SCHEMBL3081407 0.75 CTSK (0.36) NPSR1
SCHEMBL14478362 0.75 TRPV3 (0.39) HTR1ANPSR1ACACBPDE10ANCF1
SCHEMBL14182008 0.72 PDE10A (0.41) HTR1AACACBPDE10ANCF1CXCR4
SCHEMBL14590053 0.71 NPSR1 (0.47) HTR1ANPSR1ACACBITGB1ITGA5
SCHEMBL1844596 0.71 PDE10A (0.43) HTR1AACACBPDE10ANCF1ITGB1
SCHEMBL13240992 0.71 PDE10A (0.40) HTR1AACACBPDE10ANCF1ITGB1

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 3179/4885NPSR1 4194/4885ACACB 2501/4885

“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.