SCHEMBL21179453

SCHEMBL21179453

O=C(O)NC1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.38
PRKDC P78527 10/20 0.38
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
RIPK2 O43353 1/20 0.36
KCNH2 Q12809 5/20 0.36
SIK1 P57059 1/20 0.36
SIK2 Q9H0K1 1/20 0.36
SIK3 Q9Y2K2 1/20 0.36
TBK1 Q9UHD2 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35

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
SCHEMBL21179454 1.00 ERBB2 (0.38) ERBB2PRKDCBMPR1BBMPR1ATGFBR1
SCHEMBL30823286 0.91 LMNA (0.41) ERBB2PRKDCBMPR1BBMPR1ATGFBR1
SCHEMBL21177861 0.91 LMNA (0.41) ERBB2PRKDCBMPR1BBMPR1ATGFBR1
SCHEMBL21177841 0.91 LMNA (0.41) ERBB2PRKDCBMPR1BBMPR1ATGFBR1
SCHEMBL21187288 0.91 LMNA (0.41) ERBB2PRKDCBMPR1BBMPR1ATGFBR1
SCHEMBL21177844 0.91 LMNA (0.41) ERBB2PRKDCBMPR1BBMPR1ATGFBR1
SCHEMBL21187360 0.90 GAA (0.38) ERBB2PRKDCRIPK2KCNH2SIK1
SCHEMBL30817827 0.90 GAA (0.38) ERBB2PRKDCRIPK2KCNH2SIK1
SCHEMBL30823325 0.90 GAA (0.38) ERBB2PRKDCRIPK2KCNH2SIK1
SCHEMBL21177846 0.89 PRKDC (0.38) ERBB2PRKDCBMPR1BBMPR1ATGFBR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12005127-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-06-11 US disclosed
EP-3740480-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-03-06 EP disclosed
EP-3740480-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2020-11-25 EP disclosed
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 (2 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 ERBB2 953/4885PRKDC 34/4885BMPR1B 2888/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK ERBB2 953/4885PRKDC 34/4885BMPR1B 2888/4885

“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.