SCHEMBL2490529

SCHEMBL2490529

CN1CCN(Cc2ccc3ncn(-c4nc(-c5cccc(C(F)(F)F)c5)c(C(N)=O)s4)c3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.54
NEK2 P51955 3/20 0.54
KIT P10721 2/20 0.54
PLK3 Q9H4B4 2/20 0.54
PIK3CD O00329 1/20 0.54
PIK3C2B O00750 1/20 0.54
RIOK3 O14730 1/20 0.54
DAPK3 O43293 1/20 0.54
PIP5K1C O60331 1/20 0.54
RPS6KA4 O75676 1/20 0.54
STK10 O94804 1/20 0.54
PRKD3 O94806 1/20 0.54
PDGFRB P09619 1/20 0.54
PIM1 P11309 1/20 0.54
CSNK2A2 P19784 1/20 0.54
GRK4 P32298 1/20 0.54
TIE1 P35590 1/20 0.54
FLT3 P36888 1/20 0.54
PRKCI P41743 1/20 0.54
PIK3CB P42338 1/20 0.54

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
Trifluoroacetic Acid SCHEMBL2546424 0.97 PLK1 (0.52) PLK1NEK2KITPLK3PIK3CD
SCHEMBL2494005 0.92 PLK1 (0.54) PLK1NEK2KITPLK3PIK3CD
SCHEMBL2541149 0.89 PLK1 (0.54) PLK1NEK2KITPLK3PIK3CD
Trifluoroacetic Acid SCHEMBL2541688 0.89 PLK1 (0.52) PLK1NEK2KITPLK3PIK3CD
SCHEMBL2492510 0.88 PLK1 (0.49) PLK1NEK2KITPLK3PIK3CD
SCHEMBL2490868 0.85 PLK1 (0.62) PLK1NEK2KITPLK3PIK3CD
SCHEMBL2543525 0.84 PLK1 (0.49) PLK1NEK2KITPLK3PIK3CD
SCHEMBL2544168 0.82 NEK2 (0.48) PLK1NEK2KITPLK3PIK3CD
SCHEMBL2492532 0.82 AXL (0.44) PLK1NEK2KITPLK3PIK3CD
SCHEMBL2493735 0.81 PLK1 (0.42) PLK1NEK2KITPLK3PIK3CD

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 12 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 claimed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US claimed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO claimed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US claimed
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
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US 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
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US 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 PLK1 2782/4885NEK2 929/4885KIT 172/4885

“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.