SCHEMBL14701672

SCHEMBL14701672

O=Cc1cn(C2CCCC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.40
CDK5R1 Q15078 5/20 0.40
CPB2 Q96IY4 3/20 0.38
CPB1 P15086 2/20 0.36
GSK3B P49841 1/20 0.36
WDR5 P61964 3/20 0.35
ALDH1A1 P00352 1/20 0.34
KDM2B Q8NHM5 1/20 0.32
HCAR1 Q9BXC0 4/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL3273845 0.98 CPB2 (0.40) CDK5CDK5R1CPB2CPB1GSK3B
SCHEMBL15236765 0.98 CPB2 (0.40) CDK5CDK5R1CPB2CPB1GSK3B
SCHEMBL14631017 0.84 CPB2 (0.42) CDK5CDK5R1CPB2ALDH1A1KDM2B
SCHEMBL12333257 0.84 CPB2 (0.43) CDK5CDK5R1CPB2GSK3BWDR5
SCHEMBL14631015 0.84 CPB2 (0.42) CDK5CDK5R1CPB2ALDH1A1KDM2B
SCHEMBL14631062 0.84 CPB2 (0.43) CDK5CDK5R1CPB2GSK3BWDR5
SCHEMBL14631484 0.84 CPB2 (0.42) CDK5CDK5R1CPB2ALDH1A1KDM2B
SCHEMBL14653682 0.83 CDK5 (0.34) CDK5CDK5R1CPB2GSK3BWDR5
SCHEMBL14631438 0.82 CPB2 (0.47) CDK5CDK5R1CPB2CPB1GSK3B
SCHEMBL14631151 0.80 CPB2 (0.40) CDK5CDK5R1CPB2KDM2B

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-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 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-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 CDK5 2613/4885CDK5R1 1924/4885CPB2 3960/4885

“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.