SCHEMBL19730145

SCHEMBL19730145

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccnc2[nH]cnc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
SSTR4 P31391 1/20 0.33
ATR Q13535 1/20 0.32
MAPT P10636 5/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
RECQL P46063 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
SCHEMBL19730141 0.78 PARP1 (0.44)
SCHEMBL19730142 0.78 NUDT1 (0.45)
SCHEMBL13505462 0.77 PDPK1 (0.38) L3MBTL1MAPTPOLBTDP1NPSR1
SCHEMBL29863128 0.77 PDPK1 (0.38) L3MBTL1MAPTPOLBTDP1NPSR1
SCHEMBL13667386 0.76 EGLN1 (0.39) L3MBTL1SSTR4POLBTDP1NPSR1
SCHEMBL23120981 0.74 JAK3 (0.36) L3MBTL1MAPTPOLBTDP1NPSR1
SCHEMBL26068373 0.72 MEN1 (0.34) L3MBTL1MAPTPOLBTDP1NPSR1
SCHEMBL19730138 0.72 TDP1 (0.33) L3MBTL1MAPTPOLBTDP1NPSR1
SCHEMBL19730149 0.72 L3MBTL1 (0.36) L3MBTL1MAPTPOLBTDP1NPSR1
SCHEMBL21605151 0.71 ATR (0.43) SSTR4ATRPOLBTDP1KMT2A

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 L3MBTL1 2316/4885SSTR4 2896/4885ATR 1113/4885

“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.