SCHEMBL19557693

SCHEMBL19557693

BC1(B)CC(=O)CC(B)(C)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ELANE P08246 4/20 0.44
CTSG P08311 2/20 0.39
PRTN3 P24158 1/20 0.39
CYP11B2 P19099 1/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
BACE1 P56817 3/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MGLL Q99685 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL10813336 0.78 ELANE (0.50) GAAELANECTSGPRTN3CYP11B2
SCHEMBL26937402 0.72 GAA (0.44) GAAELANECTSGPRTN3CYP11B2
SCHEMBL11814837 0.67 GAA (0.44) GAAELANEMEN1KMT2A
SCHEMBL19557689 0.66 ELANE (0.45) GAAELANECTSGPRTN3F2
SCHEMBL12916375 0.66 ELANE (0.52) GAAELANECTSGPRTN3F2
SCHEMBL21244555 0.66 GAA (0.47) GAAELANECTSGPRTN3CYP11B2
SCHEMBL19557694 0.65 LPL (0.34) GAAELANECTSGPRTN3MEN1
SCHEMBL8892977 0.65 GAA (0.59) GAAELANECTSGF2PLG
SCHEMBL9524116 0.65 ELANE (0.70) GAAELANECTSGPRTN3F2
SCHEMBL1352319 0.65 ELANE (0.59) GAAELANECTSGPRTN3CYP11B2

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-10618884-B2 Deuterated diaminopyrimidine compounds and pharmaceutical compositions comprising such compounds SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2020-04-14 US disclosed
US-20180044323-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS SUZHOU ZELGEN BIOPHARMACEUTICALS CO LTD (CN) 2018-02-15 US disclosed
US-9809572-B2 Deuterated diaminopyrimidine compounds and pharmaceutical compositions comprising such compounds SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-07 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 (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-10618884-B2 Deuterated diaminopyrimidine compounds and pharmaceutical compositions comprising such compounds DCK, DPYD, BRAF GAA 1530/4885ELANE 3642/4885CTSG 3240/4885
US-20180044323-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS DCK, DPYD, BRAF GAA 1530/4885ELANE 3642/4885CTSG 3240/4885

“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.