SCHEMBL2493735

SCHEMBL2493735

CN1CCN(CCc2ccc3ncn(-c4nc(-c5cccc(Cl)c5)c(C(N)=O)s4)c3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 9/20 0.42
NEK2 P51955 4/20 0.42
PLK3 Q9H4B4 3/20 0.42
PIK3CD O00329 2/20 0.42
PDGFRB P09619 2/20 0.42
PIM1 P11309 2/20 0.42
PIK3C2B O00750 1/20 0.42
RIOK3 O14730 1/20 0.42
DAPK3 O43293 1/20 0.42
PIP5K1C O60331 1/20 0.42
RPS6KA4 O75676 1/20 0.42
STK10 O94804 1/20 0.42
PRKD3 O94806 1/20 0.42
KIT P10721 1/20 0.42
CSNK2A2 P19784 1/20 0.42
GRK4 P32298 1/20 0.42
TIE1 P35590 1/20 0.42
FLT3 P36888 1/20 0.42
PRKCI P41743 1/20 0.42
PIK3CB P42338 1/20 0.42

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
SCHEMBL2492510 0.93 PLK1 (0.49) PLK1NEK2PLK3PIK3CDPDGFRB
SCHEMBL2541119 0.88 MEN1 (0.45) PLK1NEK2PLK3PIK3CDPDGFRB
SCHEMBL2533110 0.88 PLK1 (0.42) PLK1NEK2PLK3PIK3CDPDGFRB
SCHEMBL2540395 0.87 CXCR1 (0.46) PLK1NEK2PLK3PIK3CDPDGFRB
SCHEMBL2492532 0.87 AXL (0.44) PLK1NEK2PLK3PIK3CDPDGFRB
SCHEMBL2543965 0.86 CXCR1 (0.44) PLK1NEK2PLK3PIK3CDPDGFRB
SCHEMBL2542413 0.86 AVPR1B (0.42) PLK1AVPR1B
SCHEMBL2514349 0.86 AXL (0.45) PLK1NEK2PLK3PIK3CDPDGFRB
SCHEMBL2544195 0.85 MAP4K4 (0.41) PLK1NEK2PLK3PIK3CDPDGFRB
SCHEMBL2539009 0.85 MCHR1 (0.43) PLK1NEK2PLK3PIK3CDPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US 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 929/4885PLK3 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.