SCHEMBL6496897

SCHEMBL6496897

CN(/N=C1\CCCc2[nH]c3ccc(F)cc3c21)C1=NCCN1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
PIKFYVE Q9Y2I7 2/20 0.36
KDR P35968 1/20 0.34
CDK5 Q00535 3/20 0.33
CDK5R1 Q15078 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
ACHE P22303 1/20 0.32
MAPK10 P53779 1/20 0.31
RIPK1 Q13546 1/20 0.31
CHUK O15111 1/20 0.31

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
SCHEMBL6496901 1.00 HTR2A (0.37) HTR2AHTR2CHTR7HTR6PIKFYVE
SCHEMBL6491124 0.88 PTGES (0.40) PIKFYVEKDRALDH1A1MAPTHTT
SCHEMBL6491123 0.88 PTGES (0.40) PIKFYVEKDRALDH1A1MAPTHTT
SCHEMBL6489651 0.88 MAP3K14 (0.42) HTR2AHTR2CHTR7HTR6KDR
SCHEMBL6489655 0.88 MAP3K14 (0.42) HTR2AHTR2CHTR7HTR6KDR
SCHEMBL6488217 0.88 MAPT (0.43) HTR2AHTR2CHTR7HTR6PIKFYVE
SCHEMBL6488213 0.88 MAPT (0.43) HTR2AHTR2CHTR7HTR6PIKFYVE
SCHEMBL6486879 0.87 MAPT (0.38) PIKFYVEKDRALDH1A1MAPTHTT
SCHEMBL6497443 0.81 MAP3K14 (0.40) HTR2AHTR2CHTR7HTR6ALDH1A1
SCHEMBL6488757 0.81 MAP3K14 (0.40) HTR2AHTR2CHTR7HTR6ALDH1A1

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 HTR2A 5/4885HTR2C 4/4885HTR7 13/4885

“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.