SCHEMBL2493645

SCHEMBL2493645

NC(=O)c1sc(-n2cnc3ccc(OCCCN(CCO)CCO)cc32)nc1-c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.47
PLK3 Q9H4B4 7/20 0.47
NEK2 P51955 5/20 0.35
PIK3CD O00329 1/20 0.34
NUAK1 O60285 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL2536134 0.91 PLK1 (0.55) PLK1PLK3NEK2
SCHEMBL2491218 0.90 PLK1 (0.44) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2540418 0.89 PLK1 (0.43) PLK1PLK3NEK2
SCHEMBL2540373 0.88 PLK1 (0.50) PLK1PLK3PIM1
SCHEMBL2538071 0.88 PLK1 (0.43) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2546041 0.88 SRC (0.42) PLK1PLK3
SCHEMBL2540425 0.85 AVPR1B (0.47) PLK1PLK3
SCHEMBL2538280 0.84 AVPR1B (0.48) PLK1PLK3
SCHEMBL2540395 0.83 CXCR1 (0.46) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2537209 0.83 PLK1 (0.51) PLK1PLK3NEK2

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 2782/4885PLK3 1584/4885NEK2 929/4885

“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.