SCHEMBL19782898

SCHEMBL19782898

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.39
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
RAB9A P51151 3/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPT P10636 2/20 0.30

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
SCHEMBL19782716 0.87 CDC7 (0.39) ALDH1A1KDM4EHSD17B10HPGDCDC7
SCHEMBL19782897 0.87 CDC7 (0.38) ALDH1A1KDM4EHSD17B10HPGDCDC7
SCHEMBL19782724 0.82 CDC7 (0.33) ALDH1A1KDM4EHSD17B10HPGDCDC7
SCHEMBL19783004 0.72 LMNA (0.34) ALDH1A1KDM4EHSD17B10HPGDRAB9A
SCHEMBL19782384 0.72 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDCDC7DBF4
SCHEMBL19783110 0.71 LMNA (0.35) ALDH1A1KDM4EHSD17B10HPGDRAB9A
SCHEMBL19782899 0.70 LMNA (0.42) ALDH1A1KDM4EHSD17B10HPGDRAB9A
SCHEMBL19782395 0.65 CDC7 (0.40) ALDH1A1KDM4ECDC7DBF4MAPT
SCHEMBL19782988 0.60 CDC7 (0.46) ALDH1A1KDM4EHPGDCDC7DBF4
SCHEMBL510314 0.60 CDC7 (0.62) ALDH1A1KDM4EHSD17B10HPGDCDC7

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 ALDH1A1 571/4885KDM4E 1505/4885HSD17B10 1584/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 ALDH1A1 571/4885KDM4E 1505/4885HSD17B10 1584/4885

“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.