SCHEMBL6496909

SCHEMBL6496909

Fc1ccc2[nH]c3c(c2c1)C(=NNCC1=NCCN1)CCC3

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.40
CDK5R1 Q15078 3/20 0.40
ADRA2A P08913 4/20 0.39
ADRA1D P25100 4/20 0.39
ADRA1A P35348 4/20 0.39
ADRA1B P35368 4/20 0.39
ADRA2C P18825 3/20 0.39
ADRA2B P18089 2/20 0.39
PIKFYVE Q9Y2I7 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
KDR P35968 1/20 0.33

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
SCHEMBL6491133 0.88 ADRA2C (0.42) ADRA2AADRA1DADRA1AADRA1BADRA2C
SCHEMBL6488223 0.88 MAPT (0.42) ADRA2AADRA1DADRA1AADRA1BADRA2C
SCHEMBL6489663 0.88 MAP3K14 (0.41) CDK5CDK5R1ADRA2AADRA1DADRA1A
SCHEMBL6486887 0.86 MAPT (0.41) ADRA2AADRA1DADRA1AADRA1BADRA2C
SCHEMBL6488243 0.82 CDK5 (0.43) CDK5CDK5R1ADRA2AADRA1AADRA2C
SCHEMBL6488248 0.82 CDK5 (0.43) CDK5CDK5R1ADRA2AADRA1AADRA2C
SCHEMBL6488762 0.82 ADRA2C (0.40) CDK5CDK5R1ADRA2AADRA1DADRA1A
SCHEMBL6500360 0.81 MAOA (0.37) CDK5CDK5R1ADRA2AADRA1DADRA1A
SCHEMBL6496901 0.76 HTR2A (0.37) CDK5CDK5R1PIKFYVENISCHKDR
SCHEMBL6496897 0.76 HTR2A (0.37) CDK5CDK5R1PIKFYVENISCHKDR

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 CDK5 316/4885CDK5R1 257/4885ADRA2A 127/4885

“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.