SCHEMBL19738205

SCHEMBL19738205

CC(C)(C)OC(=O)Nc1nc(O)nc2[nH]cnc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ MAPT P10636 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ATR Q13535 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL19738337 0.89 SYK (0.39) SYKL3MBTL1MAPTTDP1ATR
SCHEMBL22939319 0.86 SYK (0.39) SYKL3MBTL1MAPTTDP1ATR
SCHEMBL29593210 0.86 SYK (0.39) SYKL3MBTL1MAPTTDP1ATR
SCHEMBL19738339 0.85 SYK (0.39) SYKL3MBTL1MAPTTDP1ATR
SCHEMBL29124868 0.84 SYK (0.38) SYKL3MBTL1MAPTTDP1ATR
SCHEMBL19738338 0.83 SYK (0.37) SYKL3MBTL1MAPTTDP1ATR
SCHEMBL29124870 0.83 SYK (0.37) SYKL3MBTL1MAPTTDP1ATR
SCHEMBL24653331 0.81 AURKA (0.40) SYKL3MBTL1ATRAURKARPS6KB1
SCHEMBL29124862 0.80 SYK (0.36) SYKL3MBTL1MAPTTDP1AURKA
SCHEMBL16146678 0.80 GDA (0.39) L3MBTL1

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 SYK 1323/4885L3MBTL1 2316/4885MAPT 4871/4885

“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.

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