SCHEMBL21187305

SCHEMBL21187305

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 9/20 0.41
ERBB2 P04626 1/20 0.38
SYK P43405 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CETP P11597 1/20 0.36
KCNH2 Q12809 3/20 0.36
EGLN1 Q9GZT9 2/20 0.36

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
Hydrochloric Acid SCHEMBL21177854 0.99 PRKDC (0.41) PRKDCERBB2SYKIRAK4CCNC
SCHEMBL21178261 0.89 ERBB2 (0.40) PRKDCERBB2IRAK4KCNH2
SCHEMBL21187311 0.89 ERBB2 (0.40) PRKDCERBB2IRAK4KCNH2
SCHEMBL21178142 0.88 MAPK1 (0.46) PRKDCERBB2
SCHEMBL21177861 0.88 LMNA (0.41) PRKDCERBB2IRAK4
SCHEMBL30823286 0.88 LMNA (0.41) PRKDCERBB2IRAK4
SCHEMBL21187306 0.88 MAPK1 (0.46) PRKDCERBB2
SCHEMBL21177841 0.88 LMNA (0.41) PRKDCERBB2IRAK4
SCHEMBL21177844 0.88 LMNA (0.41) PRKDCERBB2IRAK4
SCHEMBL21179453 0.87 ERBB2 (0.38) PRKDCERBB2CCNCCDK8KCNH2

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 PRKDC 34/4885ERBB2 953/4885SYK 2655/4885

“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.