SCHEMBL19730159

SCHEMBL19730159

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.35
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
PDPK1 O15530 1/20 0.32
PARP1 P09874 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL19730158 0.86 CACNA1G (0.33) PNPCACNA1GCACNA1BCACNA1CPDPK1
SCHEMBL19730146 0.86 TDP1 (0.33) PNPCACNA1GCACNA1BCACNA1CPDPK1
SCHEMBL19730148 0.86 CACNA1G (0.35) PNPCACNA1GCACNA1BCACNA1CPDPK1
SCHEMBL19730137 0.79 L3MBTL1 (0.33) PDPK1L3MBTL1POLBNPSR1TDP1
SCHEMBL13667386 0.78 EGLN1 (0.39) PDPK1PARP1L3MBTL1POLBNPSR1
SCHEMBL19730149 0.74 L3MBTL1 (0.36) PDPK1L3MBTL1POLBNPSR1TDP1
SCHEMBL26068373 0.74 MEN1 (0.34) PDPK1L3MBTL1POLBNPSR1TDP1
SCHEMBL19730138 0.74 TDP1 (0.33) PDPK1L3MBTL1POLBNPSR1TDP1
SCHEMBL29863128 0.74 PDPK1 (0.38) PDPK1L3MBTL1POLBNPSR1TDP1
SCHEMBL13505462 0.74 PDPK1 (0.38) PDPK1L3MBTL1POLBNPSR1TDP1

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 1 patent. 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

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 PNP 288/4885CACNA1G 1684/4885CACNA1B 1064/4885

“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.