SCHEMBL4568306

SCHEMBL4568306

CCOc1cc2[nH]c(-c3ccsc3)cc2cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
GAK O14976 1/20 0.38
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
AURKA O14965 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
TTK P33981 1/20 0.36
PDE3A Q14432 1/20 0.35
NPY5R Q15761 1/20 0.34
CHEK2 O96017 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 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
SCHEMBL4568288 0.86 CCNB2 (0.37) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4568257 0.85 IMPDH2 (0.45) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4568266 0.82 CDK5 (0.43) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4568305 0.81 NPC1 (0.48) IMPDH2AURKACCNA2CDK2TTK
SCHEMBL4568388 0.80 PDGFRB (0.43) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4568276 0.79 HPGD (0.42) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4568307 0.79 CYP1A1 (0.48) AURKACCNA2CDK2TTKF2
SCHEMBL4568297 0.77 NPY5R (0.40) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4568299 0.77 CYP1A1 (0.42) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL4568303 0.77 GPR35 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
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.