SCHEMBL6488248

SCHEMBL6488248

Fc1ccc2[nH]c3c(c2c1)C(=NNC1=NCCN1)CCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.43
CDK5R1 Q15078 3/20 0.43
PIKFYVE Q9Y2I7 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ACHE P22303 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
NQO1 P15559 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 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
SCHEMBL6488243 1.00 CDK5 (0.43) CDK5CDK5R1PIKFYVENPC1RAB9A
SCHEMBL6489877 0.87 MAP3K14 (0.43) CDK5CDK5R1NPC1RAB9AADRA2A
SCHEMBL6489881 0.87 MAP3K14 (0.43) CDK5CDK5R1NPC1RAB9AADRA2A
SCHEMBL6496909 0.82 CDK5 (0.40) CDK5CDK5R1PIKFYVEADRA2AADRA2B
SCHEMBL6496901 0.78 HTR2A (0.37) CDK5CDK5R1PIKFYVEACHEALDH1A1
SCHEMBL6496897 0.78 HTR2A (0.37) CDK5CDK5R1PIKFYVEACHEALDH1A1
SCHEMBL6488914 0.73 F2 (0.41) CDK5CDK5R1PIKFYVEALDH1A1
SCHEMBL6488907 0.73 F2 (0.41) CDK5CDK5R1PIKFYVEALDH1A1
SCHEMBL6489663 0.70 MAP3K14 (0.41) CDK5CDK5R1NPC1RAB9AADRA2A
SCHEMBL6491133 0.70 ADRA2C (0.42) ADRA2AADRA2BADRA2CADRA1AALDH1A1

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-6951881-B2 (1-substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-10-04 US claimed
US-20030232843-A1 (1-Substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-12-18 US claimed
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 CDK5 316/4885CDK5R1 257/4885PIKFYVE 976/4885

“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.