SCHEMBL6468902

SCHEMBL6468902

CCC(CC)Nc1cncc(C(N)=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.46
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDK5R1 Q15078 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TSHR P16473 1/20 0.36
MC4R P32245 1/20 0.36
ADRA1A P35348 1/20 0.36
MC3R P41968 1/20 0.36
SCN9A Q15858 2/20 0.35
SYK P43405 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CRHR1 P34998 2/20 0.33
PDPK1 O15530 1/20 0.33
CTSA P10619 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
SCHEMBL6469190 0.82 MAPK1 (0.43) HCAR3DYRK1AADORA3TSHRMC4R
SCHEMBL5042271 0.79 HCAR3 (0.39) HCAR3ADORA3TSHRMC4RADRA1A
SCHEMBL6469123 0.75 HCAR3 (0.46) HCAR3CDK5DYRK1AADORA3TSHR
SCHEMBL6468910 0.75 FYN (0.51) FYNHCAR3HCAR2CCNA2CDK2
SCHEMBL5042245 0.73 HCAR3 (0.48) FYNHCAR3HCAR2SCN9ASYK
SCHEMBL4628396 0.73 FYN (0.47) FYNHCAR3HCAR2CCNA2CDK2
SCHEMBL27920959 0.72 ADORA3 (0.39) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL5414326 0.71 FYN (0.46) FYNHCAR3HCAR2CCNA2CDK2
SCHEMBL4628001 0.71 FYN (0.46) FYNHCAR3HCAR2CCNA2CDK2
SCHEMBL7109264 0.71 TSHR (0.56) HCAR2ADORA3TSHRMC4RADRA1A

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 667/4885HCAR3 748/4885HCAR2 1142/4885

“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.