SCHEMBL6842093

SCHEMBL6842093

C=CCc1c(N)nc(=O)[nH]c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MCL1 Q07820 1/20 0.35
IMPDH2 P12268 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
PRKACA P17612 1/20 0.32
KDR P35968 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
SCHEMBL12956833 0.74 NPSR1 (0.70) NPSR1ALDH1A1HPGDL3MBTL1MCL1
SCHEMBL1101441 0.68 NPSR1 (0.41) NPSR1ALDH1A1HPGDL3MBTL1
SCHEMBL14123168 0.67 NPSR1 (0.47) NPSR1ALDH1A1HPGDL3MBTL1MCL1
SCHEMBL1101374 0.67 NPSR1 (0.40) NPSR1ALDH1A1HPGDL3MBTL1
SCHEMBL7587289 0.66 CHEK1 (0.39) ALDH1A1HPGDL3MBTL1CHEK1AURKA
SCHEMBL170250 0.66 NPSR1 (0.36) NPSR1IMPDH2
SCHEMBL28323788 0.65 NPSR1 (0.39) NPSR1ALDH1A1HPGDIMPDH2KDM4E
SCHEMBL9398319 0.65 MAPT (0.36) NPSR1ALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL8723152 0.65 CHEK1 (0.38) ALDH1A1HPGDL3MBTL1CHEK1AURKA
SCHEMBL10169133 0.64 NPSR1 (0.66) NPSR1ALDH1A1HPGDL3MBTL1MCL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683166-B2 RESISTANT TO NUCLEASES, ENHANCED ABILITY TO PENETRATE CELLS, AND CAPABLE OF BINDING TARGET OLIGONUCLEOTIDE SEQUENCES IN VITRO AND VIVO ISIS PHARMACEUTICALS, INC. 2004-01-27 US disclosed
US-20030120050-A1 Modified internucleoside linkages (ii) SWAMINATHAN SUNDARAMOORTHI (US) 2003-06-26 US disclosed
US-6410702-B1 OLIGONUCLEOTIDE; FOR USE IN THE HUMAN THERAPEUTICS AND DIAGNOSTICS ISIS PHARMACEUTICALS, INC. 2002-06-25 US disclosed
US-5817781-A ENZYME INHIBITORS; INCREASED PENETRATION OF CELLS; DEACTIVATEPROTEIN SYNTHESIS, RNA, DNA GILEAD SCIENCES, INC. (US) 1998-10-06 US 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-20030120050-A1 Modified internucleoside linkages (ii) POLRMT, NSUN2, POLR2E NPSR1 3836/4885ALDH1A1 4128/4885HPGD 4279/4885

“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.