SCHEMBL455876

SCHEMBL455876

CCOC(=O)c1sc(-c2ccc(O)c(Br)c2)nc1C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.62
DBF4 Q9UBU7 8/20 0.62
TRPM8 Q7Z2W7 6/20 0.55
MAPT P10636 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSP90AA1 P07900 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
DHODH Q02127 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.46

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
SCHEMBL12186978 0.88 CDC7 (0.64) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL8867093 0.85 CDC7 (0.62) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL19523297 0.85 CDC7 (0.62) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL15383553 0.84 ALDH1A1 (0.62) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL454793 0.83 CDC7 (0.59) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL29627451 0.83 CDC7 (0.59) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL4464882 0.83 CDC7 (0.73) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL19523327 0.82 MAPT (0.58) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL30804867 0.82 CDC7 (0.58) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL469731 0.82 CDC7 (0.58) CDC7DBF4TRPM8MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2013-07-04 US claimed
WO-2012032528-A2 IMPROVED PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2012-03-15 WO claimed
WO-2014121695-A1 NOVEL XANTHINE OXIDASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF 镇江新元素医药科技有限公司 (CN) 2014-08-14 WO disclosed
US-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2013-07-04 US disclosed
US-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2013-07-04 US disclosed
US-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2013-07-04 US disclosed
WO-2012032528-A2 IMPROVED PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2012-03-15 WO disclosed
WO-2012032528-A2 IMPROVED PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2012-03-15 WO disclosed
US-5614520-A 2-arylthiazole derivatives and pharmaceutical composition thereof TEIJIN LIMITED (JP) 1997-03-25 US disclosed
EP-0513379-B1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1996-09-11 EP disclosed
EP-0513379-A1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1992-11-19 EP 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-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE FIP1L1, UMPS, UBXN4 CDC7 4019/4885DBF4 2965/4885TRPM8 4618/4885

“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.