SCHEMBL19730138

SCHEMBL19730138

Cc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2nc[nH]c2n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
XBP1 P17861 2/20 0.31
RECQL P46063 1/20 0.31
PDPK1 O15530 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
SYK P43405 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
JAK3 P52333 1/20 0.30
GAA P10253 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
SCHEMBL26068373 0.87 MEN1 (0.34) TDP1L3MBTL1POLBNPSR1MEN1
SCHEMBL19730149 0.87 L3MBTL1 (0.36) TDP1L3MBTL1POLBNPSR1MEN1
SCHEMBL29593049 0.86 L3MBTL1 (0.33) TDP1L3MBTL1POLBNPSR1MEN1
SCHEMBL19730137 0.86 L3MBTL1 (0.33) TDP1L3MBTL1POLBNPSR1MEN1
SCHEMBL19730139 0.86 L3MBTL1 (0.33) TDP1L3MBTL1POLBNPSR1MEN1
SCHEMBL29863128 0.81 PDPK1 (0.38) TDP1L3MBTL1POLBNPSR1MEN1
SCHEMBL13505462 0.81 PDPK1 (0.38) TDP1L3MBTL1POLBNPSR1MEN1
SCHEMBL19730146 0.78 TDP1 (0.33) TDP1L3MBTL1POLBNPSR1MEN1
SCHEMBL30046588 0.77 CCR7 (0.31) MKNK2
SCHEMBL29838697 0.76 JAK3 (0.41) MEN1KMT2APDPK1JAK3GAA

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 TDP1 1462/4885L3MBTL1 2316/4885POLB 3528/4885

“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.