SCHEMBL6468910

SCHEMBL6468910

CCC(CC)Nc1cncc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.51
SCN9A Q15858 8/20 0.39
SCN5A Q14524 7/20 0.39
KCNH2 Q12809 5/20 0.39
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CDK2 P24941 3/20 0.37
CCNA2 P20248 2/20 0.37
CDK5 Q00535 2/20 0.37
DYRK1A Q13627 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CCNA1 P78396 1/20 0.37
CRHR1 P34998 2/20 0.37
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 1/20 0.33
DYRK3 O43781 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL4628396 0.79 FYN (0.47) FYNHCAR3HCAR2CDK2CCNA2
SCHEMBL6469193 0.79 SCN9A (0.41) SCN9ASCN5AKCNH2CDK2
SCHEMBL5414326 0.78 FYN (0.46) FYNHCAR3HCAR2CDK2CCNA2
SCHEMBL4628001 0.78 FYN (0.46) FYNHCAR3HCAR2CDK2CCNA2
SCHEMBL5416416 0.75 FYN (0.44) FYNHCAR3HCAR2CDK2CCNA2
SCHEMBL6468902 0.75 FYN (0.46) FYNSCN9AKCNH2HCAR3HCAR2
SCHEMBL5042272 0.75 SCN9A (0.41) SCN9ASCN5AKCNH2HCAR3CDK2
SCHEMBL6469127 0.72 TLR8 (0.53) SCN9ASCN5AKCNH2HCAR3CDK2
SCHEMBL13159701 0.71
SCHEMBL3193118 0.70 TLR8 (0.47) SCN9ASCN5AKCNH2HCAR3LATS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA FYN 667/4885SCN9A 666/4885SCN5A 1919/4885

“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.