SCHEMBL2493954

SCHEMBL2493954

CC(C)(C)OC(=O)N1CCC(COc2ccc3ncn(-c4nc(-c5cccc(Cl)c5)c(C(N)=O)s4)c3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.47
PLK1 P53350 5/20 0.47
PLK3 Q9H4B4 3/20 0.47
GPR119 Q8TDV5 6/20 0.42
SLC2A1 P11166 1/20 0.41
STS P08842 1/20 0.38
NEK2 P51955 3/20 0.37
CCR5 P51681 1/20 0.36
HDAC1 Q13547 1/20 0.36
PIK3CD O00329 1/20 0.36
NUAK1 O60285 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL2488261 0.90 PLK1 (0.47) CHEK2PLK1PLK3GPR119NEK2
SCHEMBL2538229 0.90 PLK1 (0.57) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2537200 0.86 PLK1 (0.46) CHEK2PLK1PLK3NEK2PIK3CD
SCHEMBL2539260 0.82 PLK1 (0.42) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2538071 0.81 PLK1 (0.43) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2540373 0.80 PLK1 (0.50) CHEK2PLK1PLK3PIM1
SCHEMBL2491218 0.79 PLK1 (0.44) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2539045 0.79 PLK1 (0.59) CHEK2PLK1PLK3NEK2PIK3CD
SCHEMBL2536134 0.79 PLK1 (0.55) CHEK2PLK1PLK3NEK2
SCHEMBL2541119 0.79 MEN1 (0.45) PLK1PLK3NEK2PIK3CDNUAK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 CHEK2 2255/4885PLK1 2782/4885PLK3 1584/4885

“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.