SCHEMBL3896791

SCHEMBL3896791

Cc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
GPR55 Q9Y2T6 1/20 0.41
PLK1 P53350 1/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
LCK P06239 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX5 P09917 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL14441472 0.92 FGFR1 (0.45) SMN1; SMN2MAPTTSHRALDH1A1KDM4E
SCHEMBL3893378 0.91 SMN1; SMN2 (0.41) SMN1; SMN2MAPTTSHRALDH1A1KDM4E
SCHEMBL3903469 0.91 SMN1; SMN2 (0.41) SMN1; SMN2MAPTTSHRALDH1A1KDM4E
SCHEMBL3889696 0.90 PLK1 (0.50) NPSR1PLK1FGFR1SRCLCK
SCHEMBL3893375 0.90 PLK1 (0.50) NPSR1PLK1FGFR1SRCLCK
SCHEMBL3891521 0.88 FGFR1 (0.51) ALDH1A1KDM4ENPSR1CDC7DBF4
SCHEMBL3892220 0.88 PTGER1 (0.43) SMN1; SMN2ALDH1A1KDM4ENPSR1PLK1
SCHEMBL3889705 0.87 FGFR1 (0.51) SMN1; SMN2MAPTALDH1A1NPSR1PLK1
SCHEMBL3889140 0.86 PLK1 (0.57) PLK1FGFR1SRCLCK
SCHEMBL3890194 0.84 CDC7 (0.45) SMN1; SMN2MAPTALDH1A1KDM4ENPSR1

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 SMN1; SMN2 2260/4885MAPT 1573/4885TSHR 876/4885

“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.