SCHEMBL3895052

SCHEMBL3895052

COc1cc2ncn(-c3nc(-c4ccccc4)c(C(N)=O)s3)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.59
PLK3 Q9H4B4 4/20 0.53
NEK2 P51955 2/20 0.52
CDK2 P24941 2/20 0.51
IKBKE Q14164 1/20 0.51
FGFR1 P11362 2/20 0.51
SRC P12931 2/20 0.51
PLK4 O00444 1/20 0.51
AURKA O14965 1/20 0.51
JAK2 O60674 1/20 0.51
RPS6KA5 O75582 1/20 0.51
MAP4K4 O95819 1/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
NTRK1 P04629 1/20 0.51
LCK P06239 1/20 0.51
CSF1R P07333 1/20 0.51
PDGFRB P09619 1/20 0.51
ALOX5 P09917 1/20 0.51
KIT P10721 1/20 0.51

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
SCHEMBL3889140 0.92 PLK1 (0.57) PLK1PLK3NEK2CDK2IKBKE
SCHEMBL3892229 0.89 PLK1 (0.53) PLK1PLK3CDK2IKBKE
SCHEMBL3891800 0.88 PLK1 (0.49) PLK1PLK3NEK2CDK2IKBKE
SCHEMBL3888837 0.86 ALDH1A1 (0.50) PLK1FGFR1SRCKDR
SCHEMBL3892246 0.86 ALDH1A1 (0.51) PLK1PLK3NEK2CDK2FGFR1
SCHEMBL3893116 0.85 PLK1 (0.49) PLK1PLK3NEK2CDK2FGFR1
SCHEMBL3893375 0.85 PLK1 (0.50) PLK1PLK3NEK2CDK2FGFR1
SCHEMBL3889696 0.85 PLK1 (0.50) PLK1PLK3NEK2CDK2FGFR1
SCHEMBL3891281 0.84 PLK1 (0.52) PLK1PLK3NEK2CDK2FGFR1
SCHEMBL3898062 0.84 PLK1 (0.52) PLK1PLK3NEK2CDK2IKBKE

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-1991543-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2008-11-19 EP claimed
WO-2007096315-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO claimed
US-20070203210-A1 Thiazolyl-benzimidazoles BOYLAN JOHN FREDERICK 2007-08-30 US claimed
US-7504513-B2 Thiazolyl-benzimidazoles HOFFMAN-LA ROCHE INC. (US) 2009-03-17 US disclosed
US-7504513-B2 Thiazolyl-benzimidazoles HOFFMAN-LA ROCHE INC. (US) 2009-03-17 US disclosed
US-7504513-B2 Thiazolyl-benzimidazoles HOFFMAN-LA ROCHE INC. (US) 2009-03-17 US disclosed
EP-1991543-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2008-11-19 EP disclosed
WO-2007096315-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
WO-2007096315-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
US-20070203210-A1 Thiazolyl-benzimidazoles BOYLAN JOHN FREDERICK 2007-08-30 US disclosed
US-20070203210-A1 Thiazolyl-benzimidazoles BOYLAN JOHN FREDERICK 2007-08-30 US disclosed
US-20070203210-A1 Thiazolyl-benzimidazoles BOYLAN JOHN FREDERICK 2007-08-30 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-20070203210-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.