SCHEMBL4568285

SCHEMBL4568285

Fc1cc2cc(-c3ccsc3)[nH]c2cc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A1 P04798 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
IDH2 P48735 3/20 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
SCHEMBL4568302 0.84 CDK5 (0.36) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4568282 0.81 NPC1 (0.47) NPY5RMAPTVCP
SCHEMBL4568284 0.81 CYP1A1 (0.43) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4568272 0.78 CCNB2 (0.39) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4568279 0.77 TLR9 (0.40) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4568299 0.75 CYP1A1 (0.42) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4568258 0.75 IMPDH2 (0.44) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4568286 0.74 CYP19A1 (0.53) NPY5RMAPTVCP
SCHEMBL6118162 0.72 PDGFRB (0.42) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4568288 0.72 CCNB2 (0.37) CDK5CDK5R1CCNB2CDK1CCNB1

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R CDK5 1731/4885CDK5R1 402/4885CCNB2 2970/4885

“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.