SCHEMBL21187304

SCHEMBL21187304

CC1(C)CC1C(=O)N[C@H]1CC[C@@H](Oc2cc(N3CCOCC3)cc3ncncc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PRKDC P78527 7/20 0.34
SIK1 P57059 1/20 0.34
SIK2 Q9H0K1 1/20 0.34
SIK3 Q9Y2K2 1/20 0.34
KCNH2 Q12809 5/20 0.34
RIPK2 O43353 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BMPR1B O00238 1/20 0.33

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
SCHEMBL30823287 1.00 ERBB2 (0.35) ERBB2PIK3CDPIK3R1PRKDCSIK1
SCHEMBL28458341 1.00 ERBB2 (0.35) ERBB2PIK3CDPIK3R1PRKDCSIK1
SCHEMBL30823286 0.89 LMNA (0.41) ERBB2PIK3CDPIK3R1PRKDCSIK1
SCHEMBL21177844 0.89 LMNA (0.41) ERBB2PIK3CDPIK3R1PRKDCSIK1
SCHEMBL21177841 0.89 LMNA (0.41) ERBB2PIK3CDPIK3R1PRKDCSIK1
SCHEMBL21187288 0.89 LMNA (0.41) ERBB2PIK3CDPIK3R1PRKDCSIK1
SCHEMBL21177861 0.89 LMNA (0.41) ERBB2PIK3CDPIK3R1PRKDCSIK1
SCHEMBL22651986 0.88 ERBB2 (0.34) ERBB2PIK3CDPIK3R1PRKDCSIK1
SCHEMBL21178290 0.87 ERBB2 (0.36) ERBB2PRKDCSIK1SIK2SIK3
SCHEMBL21187362 0.87 ERBB2 (0.36) ERBB2PRKDCSIK1SIK2SIK3

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 3 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
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 (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 ERBB2 953/4885PIK3CD 623/4885PIK3R1 1086/4885

“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.