SCHEMBL3889679

SCHEMBL3889679

O=C(O)c1sc(-n2cnc3cc(Cl)ccc32)nc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.51
PLK1 P53350 2/20 0.43
ACLY P53396 1/20 0.42
DHODH Q02127 2/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.38
ALOX5 P09917 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL3892051 0.91 PLK1 (0.43) FGFR1PLK1ACLYDHODHCDC7
SCHEMBL4972881 0.88 FGFR1 (0.52) FGFR1PLK1CDC7DBF4ALDH1A1
SCHEMBL3891521 0.87 FGFR1 (0.51) FGFR1DHODHCDC7DBF4ALDH1A1
SCHEMBL3890194 0.86 CDC7 (0.45) FGFR1PLK1CDC7DBF4ALDH1A1
SCHEMBL4971293 0.85 FGFR1 (0.55) FGFR1PLK1ALDH1A1HPGDHTT
SCHEMBL3889705 0.84 FGFR1 (0.51) FGFR1PLK1CDC7DBF4ALDH1A1
SCHEMBL3893378 0.84 SMN1; SMN2 (0.41) FGFR1PLK1DHODHCDC7DBF4
SCHEMBL3903469 0.84 SMN1; SMN2 (0.41) FGFR1PLK1DHODHCDC7DBF4
SCHEMBL3889672 0.84 CDC7 (0.38) FGFR1PLK1CDC7DBF4ALDH1A1
SCHEMBL3897336 0.84 CDC7 (0.38) FGFR1PLK1CDC7DBF4ALDH1A1

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 13 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
CN-101415704-A 4-phenyl-thiazole-5-carboxylic acids and 4-phenyl-thiazole-5-carboxylic acid amides as PLK1 inhibitors HOFFMANN LA ROCHE (CH) 2009-04-22 CN 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
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 FGFR1 609/4885PLK1 2782/4885ACLY 2362/4885

“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.