SCHEMBL4568288

SCHEMBL4568288

CCOc1cc2[nH]c(-c3ccsc3)cc2cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
AURKA O14965 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
TTK P33981 1/20 0.35
GAK O14976 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 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
SCHEMBL4568306 0.86 CDK5 (0.38) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL4568258 0.86 IMPDH2 (0.44) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL4568289 0.82 CYP1A1 (0.42) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL4568287 0.82 NPC1 (0.47) IMPDH2AURKACCNA2CDK2TTK
SCHEMBL6118162 0.81 PDGFRB (0.42) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL4568272 0.79 CCNB2 (0.39) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL4568276 0.78 HPGD (0.42) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL4568299 0.76 CYP1A1 (0.42) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL4568267 0.76 CCNB2 (0.39) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL4568290 0.76 CYP19A1 (0.51) IMPDH2AURKACCNA2CDK2TTK

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 CCNB2 2970/4885CDK1 1934/4885CCNB1 1517/4885

“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.