SCHEMBL21187306

SCHEMBL21187306

CCOC(=O)[C@H]1CC[C@@H](Oc2cc(N3CCOCC3)cc3ncncc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
LGMN Q99538 2/20 0.46
MAPT P10636 8/20 0.40
GAA P10253 5/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MC4R P32245 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
PTK2B Q14289 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CLK1 P49759 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ERBB2 P04626 2/20 0.39
PRKDC P78527 3/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL21178142 1.00 MAPK1 (0.46) MAPK1LGMNMAPTGAAKMT2A
SCHEMBL21187305 0.88 PRKDC (0.41) ERBB2PRKDC
Hydrochloric Acid SCHEMBL21177854 0.87 PRKDC (0.41) ERBB2PRKDC
SCHEMBL30817827 0.87 GAA (0.38) MAPK1MAPTGAAKMT2ALMNA
SCHEMBL30823325 0.87 GAA (0.38) MAPK1MAPTGAAKMT2ALMNA
SCHEMBL21187360 0.87 GAA (0.38) MAPK1MAPTGAAKMT2ALMNA
SCHEMBL21178261 0.86 ERBB2 (0.40) MAPTGSK3BERBB2PRKDC
SCHEMBL21187311 0.86 ERBB2 (0.40) MAPTGSK3BERBB2PRKDC
SCHEMBL21187288 0.84 LMNA (0.41) MAPTGAALMNASMN1; SMN2GSK3B
SCHEMBL21177861 0.84 LMNA (0.41) MAPTGAALMNASMN1; SMN2GSK3B

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-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 US disclosed
WO-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 WO 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-20200353101-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK MAPK1 1217/4885LGMN 3418/4885MAPT 1633/4885

“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.