SCHEMBL21473561

SCHEMBL21473561

COC(=O)c1ccc(OCC2CCN(C)CC2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.51
PDE4A P27815 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
HTR4 Q13639 3/20 0.50
MAPT P10636 2/20 0.50
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR1D P28221 1/20 0.48
ADRA1B P35368 1/20 0.48
HTR2B P41595 1/20 0.48
HTR3A P46098 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL30017688 1.00 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DHTR4
SCHEMBL2090601 0.90 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL1614670 0.90 HTR4 (0.55) PDE4BPDE4APDE4CPDE4DHTR4
SCHEMBL4425396 0.89 TSHR (0.57) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL23047404 0.87 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL4278555 0.84 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL28033753 0.84 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL30015882 0.83 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL21473562 0.83 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4195065 0.83 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112236422-B Quinazoline compound as EGFR three-mutation inhibitor and application thereof 华东理工大学 2023-05-16 CN disclosed
CN-115403557-A Quinoline and quinazoline compounds as fourth-generation EGFR (epidermal growth factor receptor) inhibitor and application thereof 华东理工大学 2022-11-29 CN disclosed
CN-110372666-B Quinazoline compound as EGFR (epidermal growth factor receptor) triple mutation inhibitor and application thereof 华东理工大学 2022-11-08 CN disclosed
US-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-05-27 US disclosed
US-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-05-27 US disclosed
EP-3778586-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF East China University of Science and Technology (CN) 2021-02-17 EP disclosed
EP-3778586-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF East China University of Science and Technology (CN) 2021-02-17 EP disclosed
CN-112236422-A Quinazoline compound as EGFR (epidermal growth factor receptor) triple mutation inhibitor and application thereof 华东理工大学 2021-01-15 CN disclosed
WO-2019196938-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF 华东理工大学 2019-10-17 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-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EGFR, ERBB2, ERBB4 PDE4B 2598/4885PDE4A 2350/4885PDE4C 2746/4885

“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.