SCHEMBL13813005

SCHEMBL13813005

CC(Nc1ccccc1-c1ncccn1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
PLK1 P53350 10/20 0.37
CHEK1 O14757 2/20 0.35
CDC7 O00311 1/20 0.35
PLK4 O00444 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
CHEK2 O96017 1/20 0.35
PIM1 P11309 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PRKX P51817 1/20 0.35
CSNK1G2 P78368 1/20 0.35
PRKCZ Q05513 1/20 0.35
ROCK1 Q13464 1/20 0.35
PKN2 Q16513 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35

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
SCHEMBL9693871 0.72 ADRA1D (0.45) ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL23978923 0.72 ADRA1D (0.45) ADRA1DADRA1AADRA1BALDH1A1MAOA
SCHEMBL1358972 0.70 CETP (0.54) ALDH1A1PTPRC
SCHEMBL21799647 0.69 PLK1 (0.41) PLK1ALDH1A1
SCHEMBL13813004 0.69 PLK1 (0.41) ADRA1DADRA1AADRA1BPLK1ALDH1A1
SCHEMBL8163575 0.67 ALDH1A1 (0.48) PLK1ALDH1A1
SCHEMBL13813002 0.67 ALDH1A1 (0.41) JAK2PLK1CHEK1CDC7PLK4
SCHEMBL10599951 0.66 KDM4E (0.45) ADRA1AALDH1A1PTPRC
SCHEMBL2422607 0.66 MEN1 (0.47) ADRA1DADRA1AADRA1BCHEK1CHEK2
SCHEMBL13365306 0.66 PLK1 (0.41) PLK1CHEK1CDC7PLK4DAPK3

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-20090149651-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AMINOBENZIMIDAZOLE UREAS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-11 US disclosed
US-20090149651-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AMINOBENZIMIDAZOLE UREAS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-11 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-20090149651-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AMINOBENZIMIDAZOLE UREAS TOP2B, TOP1, TOP2A JAK2 4215/4885ADRA1D 4531/4885ADRA1A 4403/4885

“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.