SCHEMBL6486879

SCHEMBL6486879

CC(C)c1ccc2[nH]c3c(c2c1)C(=NN(C)C1=NCCN1)CCC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PIKFYVE Q9Y2I7 3/20 0.37
KDR P35968 1/20 0.34
MAP3K14 Q99558 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
UBE2N P61088 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
STK16 O75716 1/20 0.30
CLK1 P49759 1/20 0.30
CLK2 P49760 1/20 0.30
DYRK1A Q13627 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
SCHEMBL6491124 0.88 PTGES (0.40) MAPTKDM4EPIKFYVEKDRALDH1A1
SCHEMBL6491123 0.88 PTGES (0.40) MAPTKDM4EPIKFYVEKDRALDH1A1
SCHEMBL6488217 0.87 MAPT (0.43) MAPTNPSR1KDM4EPIKFYVEKDR
SCHEMBL6496901 0.87 HTR2A (0.37) MAPTPIKFYVEKDRNISCHALDH1A1
SCHEMBL6489651 0.87 MAP3K14 (0.42) MAPTKDM4EKDRMAP3K14ALDH1A1
SCHEMBL6489655 0.87 MAP3K14 (0.42) MAPTKDM4EKDRMAP3K14ALDH1A1
SCHEMBL6488213 0.87 MAPT (0.43) MAPTNPSR1KDM4EPIKFYVEKDR
SCHEMBL6496897 0.87 HTR2A (0.37) MAPTPIKFYVEKDRNISCHALDH1A1
SCHEMBL6487101 0.84 NISCH (0.32) MAPTNPSR1KDM4ENISCHALDH1A1
SCHEMBL6487098 0.84 NISCH (0.32) MAPTNPSR1KDM4ENISCHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951881-B2 (1-substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-10-04 US disclosed
US-20030232843-A1 (1-Substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-12-18 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-20030232843-A1 (1-Substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A MAPT 1293/4885NPSR1 36/4885KDM4E 3679/4885

“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.