SCHEMBL21612772

SCHEMBL21612772

COC(=O)c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(OCF)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 4/20 0.44
▸ PDE4D Q08499 3/20 0.44
▸ PDE4A P27815 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ GPR119 Q8TDV5 8/20 0.43
▸ EED O75530 1/20 0.39
▸ RBBP4 Q09028 1/20 0.39
▸ SUZ12 Q15022 1/20 0.39
▸ EZH2 Q15910 1/20 0.39
▸ AEBP2 Q6ZN18 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ SCN9A Q15858 1/20 0.38

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
SCHEMBL21612833 0.92 PDE4D (0.47) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL23355348 0.90 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL30203345 0.90 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL23355304 0.88 SIRT6 (0.41) ALDH1A1LMNAMAPTSIRT6
SCHEMBL21612831 0.87 GPR119 (0.52) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL21612843 0.86 PDE4B (0.45) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL23355410 0.85 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL30590958 0.82 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL28983495 0.82 GPR119 (0.49) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL5970662 0.81 PDE4B (0.45) PDE4BPDE4DPDE4APDE4CGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-01-26 — — US disclosed
EP-3822263-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-05-19 — — EP disclosed
CN-112334460-A Biaryl ether type quinazoline derivative 第一三共株式会社 2021-02-05 — — CN disclosed
WO-2020009156-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVE 第一三共株式会社 2020-01-09 — — 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-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES ERBB2, EGFR, ERBB3 PDE4B 3483/4885PDE4D 3905/4885PDE4A 3583/4885

“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.

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