SCHEMBL19933960

SCHEMBL19933960

COc1ccc(-c2nnn(CC(=O)OC(C)(C)C)c2-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.46
PTGS2 P35354 1/20 0.45
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
PTGER4 P35408 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL19933823 0.92 KDM4E (0.43) KDM4EALDH1A1
SCHEMBL19933882 0.90 MAPK14 (0.44) PTGS2
SCHEMBL19933816 0.86
SCHEMBL19927471 0.86 PTGS2 (0.56) CDC7PTGS2MGAMAMY1AGAA
SCHEMBL19933936 0.83 MEN1 (0.47)
SCHEMBL19933959 0.83 TP53 (0.52) CDC7PTGS2MGAMAMY1AGAA
SCHEMBL13307632 0.83 MAPT (0.55) CDC7PTGS2GAAL3MBTL1
SCHEMBL19933957 0.80 KDM4E (0.41) KDM4EALDH1A1
SCHEMBL19933826 0.78 HSP90AA1 (0.40) KDM4EALDH1A1
SCHEMBL19933952 0.78 MAPK14 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793544-B2 Disubstituted and trisubstituted 1,2,3-triazoles as Wnt inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2020-10-06 US disclosed
US-20190202804-A1 DISUBSTITUTED AND TRISUBSTITUTED 1,2,3-TRIAZOLES AS WNT INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2019-07-04 US disclosed
WO-2018045182-A1 DISUBSTITUTED AND TRISUBTITUTED 1,2,3-TRIAZOLES AS WNT INHIBITORS THE BOARD OF REGENTS OF HTE UNIVERSITY OF TEXAS SYSTEM (US) 2018-03-08 WO 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 (2 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-20190202804-A1 DISUBSTITUTED AND TRISUBSTITUTED 1,2,3-TRIAZOLES AS WNT INHIBITORS WNT1, WNT3, WNT3A CDC7 332/4885PTGS2 1938/4885MGAM 3283/4885
US-10793544-B2 Disubstituted and trisubstituted 1,2,3-triazoles as Wnt inhibitors WNT1, WNT3, WNT3A CDC7 332/4885PTGS2 1938/4885MGAM 3283/4885

“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.