SCHEMBL21178261

SCHEMBL21178261

CNC(=O)C1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.40
PRKDC P78527 7/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
MAPT P10636 1/20 0.38
GSK3B P49841 1/20 0.38
KCNH2 Q12809 5/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GBA1 P04062 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
PTK2 Q05397 1/20 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
SCHEMBL21187311 1.00 ERBB2 (0.40) ERBB2PRKDCCYP46A1MAPTGSK3B
SCHEMBL21177861 0.90 LMNA (0.41) ERBB2PRKDCCYP46A1MAPTGSK3B
SCHEMBL21177841 0.90 LMNA (0.41) ERBB2PRKDCCYP46A1MAPTGSK3B
SCHEMBL21187288 0.90 LMNA (0.41) ERBB2PRKDCCYP46A1MAPTGSK3B
SCHEMBL21177844 0.90 LMNA (0.41) ERBB2PRKDCCYP46A1MAPTGSK3B
SCHEMBL30823286 0.90 LMNA (0.41) ERBB2PRKDCCYP46A1MAPTGSK3B
SCHEMBL21187305 0.89 PRKDC (0.41) ERBB2PRKDCKCNH2IRAK4
Hydrochloric Acid SCHEMBL21177854 0.88 PRKDC (0.41) ERBB2PRKDCKCNH2IRAK4
SCHEMBL21178142 0.86 MAPK1 (0.46) ERBB2PRKDCMAPTGSK3B
SCHEMBL21187306 0.86 MAPK1 (0.46) ERBB2PRKDCMAPTGSK3B

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 7 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
CN-111757876-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2024-03-22 CN 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
CN-111757876-A DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-10-09 CN 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 34/4885CYP46A1 2230/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK ERBB2 953/4885PRKDC 34/4885CYP46A1 2230/4885

“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.