SCHEMBL19730158

SCHEMBL19730158

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(O)cc2[nH]cnc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
LMNA P02545 2/20 0.31
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDPK1 O15530 1/20 0.31
PNP P00491 1/20 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
SCHEMBL19730148 0.87 CACNA1G (0.35) CACNA1GCACNA1BCACNA1CPOLBL3MBTL1
SCHEMBL19730146 0.87 TDP1 (0.33) CACNA1GCACNA1BCACNA1CAAK1POLB
SCHEMBL19730159 0.86 PNP (0.35) CACNA1GCACNA1BCACNA1CPOLBL3MBTL1
SCHEMBL13667386 0.79 EGLN1 (0.39) AAK1POLBL3MBTL1NPSR1TDP1
SCHEMBL19730149 0.78 L3MBTL1 (0.36) POLBMEN1KMT2AL3MBTL1NPSR1
SCHEMBL19730138 0.75 TDP1 (0.33) AAK1POLBMEN1KMT2AL3MBTL1
SCHEMBL26068373 0.75 MEN1 (0.34) POLBMEN1KMT2AL3MBTL1NPSR1
SCHEMBL19730139 0.74 L3MBTL1 (0.33) CACNA1GCACNA1BCACNA1CPOLBMEN1
SCHEMBL19730137 0.74 L3MBTL1 (0.33) POLBMEN1KMT2AL3MBTL1NPSR1
SCHEMBL29593049 0.74 L3MBTL1 (0.33) CACNA1GCACNA1BCACNA1CPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 US disclosed
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 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 (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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 CACNA1G 1684/4885CACNA1B 1064/4885CACNA1C 1004/4885

“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.