SCHEMBL6489655

SCHEMBL6489655

CN(N=C1CCCc2[nH]c3ccc(Cl)cc3c21)C1=NCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 3/20 0.42
HTR6 P50406 6/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.37
HTR2A P28223 2/20 0.37
HTR7 P34969 2/20 0.37
HTR1B P28222 1/20 0.37
HTR2C P28335 1/20 0.37
HTR3A P46098 1/20 0.37
MAPK1 P28482 1/20 0.36
PARP1 P09874 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
KDR P35968 1/20 0.34
EIF2AK2 P19525 1/20 0.34
HTR1A P08908 1/20 0.34
KCNA5 P22460 1/20 0.34

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
SCHEMBL6489651 1.00 MAP3K14 (0.42) MAP3K14HTR6KDM4EMAPTHTR2A
SCHEMBL6488757 0.94 MAP3K14 (0.40) MAP3K14HTR6MAPTHTR2AHTR7
SCHEMBL6497443 0.94 MAP3K14 (0.40) MAP3K14HTR6MAPTHTR2AHTR7
SCHEMBL6491123 0.88 PTGES (0.40) KDM4EMAPTMAPK1PARP1MEN1
SCHEMBL6491124 0.88 PTGES (0.40) KDM4EMAPTMAPK1PARP1MEN1
SCHEMBL6488217 0.88 MAPT (0.43) MAP3K14HTR6KDM4EMAPTHTR2A
SCHEMBL6488213 0.88 MAPT (0.43) MAP3K14HTR6KDM4EMAPTHTR2A
SCHEMBL6496901 0.88 HTR2A (0.37) HTR6MAPTHTR2AHTR7HTR2C
SCHEMBL6496897 0.88 HTR2A (0.37) HTR6MAPTHTR2AHTR7HTR2C
SCHEMBL6486879 0.87 MAPT (0.38) MAP3K14KDM4EMAPTHTR1BKDR

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 MAP3K14 3172/4885HTR6 1/4885KDM4E 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.