SCHEMBL19782716

SCHEMBL19782716

CC(C)OC(=O)OCN(c1ncccn1)c1nc(-c2cnccn2)c(C(=O)OC(C)C)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
ALDH1A1 P00352 8/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 3/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 2/20 0.32
CYP1A2 P05177 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL19782897 0.90 CDC7 (0.38) CDC7DBF4ALDH1A1RAB9AMEN1
SCHEMBL19782898 0.87 ALDH1A1 (0.39) CDC7DBF4ALDH1A1RAB9AMEN1
SCHEMBL19782724 0.84 CDC7 (0.33) CDC7DBF4ALDH1A1RAB9AMEN1
SCHEMBL19782384 0.74 ALDH1A1 (0.38) CDC7DBF4ALDH1A1RAB9AMEN1
SCHEMBL19783110 0.74 LMNA (0.35) ALDH1A1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL19783004 0.73 LMNA (0.34) ALDH1A1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL19782899 0.73 LMNA (0.42) ALDH1A1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL19782395 0.67 CDC7 (0.40) CDC7DBF4ALDH1A1KDM4EMAPT
SCHEMBL510314 0.64 CDC7 (0.62) CDC7DBF4ALDH1A1RAB9AMEN1
SCHEMBL509072 0.64 CDC7 (0.62) CDC7DBF4ALDH1A1RAB9AMEN1

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-10913734-B2 Substituted aminothiazoles BARUCH S. BLUMBERG INSTITUTE 2021-02-09 US disclosed
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE 2019-08-08 US disclosed
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 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-10913734-B2 Substituted aminothiazoles ABAT, AADAT, BCAT1 CDC7 2682/4885DBF4 3687/4885ALDH1A1 571/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 CDC7 2682/4885DBF4 3687/4885ALDH1A1 571/4885

“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.