SCHEMBL21178069

SCHEMBL21178069

O=C1c2ccccc2C(=O)N1C1CCC(Oc2cc(N3CCOCC3)cc3ncncc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.36
DCLK1 O15075 1/20 0.36
MAPK7 Q13164 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PRKDC P78527 10/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 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
SCHEMBL21187331 1.00 MEN1 (0.38) MEN1ALDH1A1LMNATP53CYP1A2
SCHEMBL30823285 1.00 MEN1 (0.38) MEN1ALDH1A1LMNATP53CYP1A2
SCHEMBL21177900 0.86 DCLK1 (0.39) MEN1ALDH1A1LMNATP53CYP1A2
SCHEMBL30823307 0.86 DCLK1 (0.39) MEN1ALDH1A1LMNATP53CYP1A2
SCHEMBL21187336 0.86 DCLK1 (0.39) MEN1ALDH1A1LMNATP53CYP1A2
SCHEMBL30817826 0.85 ALDH1A1 (0.40) MEN1ALDH1A1LMNATP53CYP1A2
SCHEMBL21187359 0.85 ALDH1A1 (0.40) MEN1ALDH1A1LMNATP53CYP1A2
SCHEMBL28471532 0.85 ALDH1A1 (0.40) MEN1ALDH1A1LMNATP53CYP1A2
SCHEMBL30790695 0.83 LRRK2 (0.36) MEN1ALDH1A1LMNATP53CYP1A2
SCHEMBL16039402 0.83 LRRK2 (0.36) MEN1ALDH1A1LMNATP53CYP1A2

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 6 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
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 MEN1 3090/4885ALDH1A1 3073/4885LMNA 469/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK MEN1 3090/4885ALDH1A1 3073/4885LMNA 469/4885

“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.