SCHEMBL21612833

SCHEMBL21612833

CCOc1cc([N+](=O)[O-])c(C(=O)OC)cc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.47
▸ PDE4B Q07343 3/20 0.47
▸ PDE4A P27815 2/20 0.47
▸ PDE4C Q08493 2/20 0.47
▸ GPR119 Q8TDV5 10/20 0.44
▸ EED O75530 1/20 0.42
▸ RBBP4 Q09028 1/20 0.42
▸ SUZ12 Q15022 1/20 0.42
▸ EZH2 Q15910 1/20 0.42
▸ AEBP2 Q6ZN18 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 1/20 0.39

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
SCHEMBL21612772 0.92 PDE4B (0.44) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL23355348 0.90 PDE4B (0.43) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL30203345 0.90 PDE4B (0.43) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL23355345 0.88 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL21612843 0.87 PDE4B (0.45) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL21612831 0.86 GPR119 (0.52) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL21612813 0.85 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL28983495 0.85 GPR119 (0.49) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL30590958 0.83 PDE4B (0.44) PDE4DPDE4BPDE4APDE4CGPR119
SCHEMBL29205709 0.82 GPR119 (0.52) PDE4DPDE4BPDE4APDE4CGPR119

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 PDE4D 3905/4885PDE4B 3483/4885PDE4A 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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