SCHEMBL21473658

SCHEMBL21473658

COC(=O)c1cc(OC)c(OCC2CCN(C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
SIRT6 Q8N6T7 1/20 0.48
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 2/20 0.43
NPC1 O15118 1/20 0.43
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL30017059 1.00 LMNA (0.48) LMNASIRT6HTTPOLBCYP3A4
SCHEMBL1614754 0.91 MAPT (0.49) LMNAHTTPOLBABCB1ABCG2
SCHEMBL4430393 0.90 KDM4E (0.46) LMNAHTTPOLBCYP3A4NPC1
SCHEMBL22974948 0.89 SIRT6 (0.48) LMNASIRT6POLBKDM4EMEN1
SCHEMBL26651133 0.88 MAPT (0.51) LMNAHTTPOLBCYP3A4NPC1
SCHEMBL8305629 0.83 POLB (0.42) LMNAHTTPOLBABCG2MEN1
SCHEMBL8305831 0.82 EHMT2 (0.44) SIRT6MAPTKDRALDH1A1L3MBTL1
SCHEMBL21473565 0.82 KDM4E (0.58) LMNACYP3A4KDM4EKDRALDH1A1
SCHEMBL30017160 0.82 KDM4E (0.58) LMNACYP3A4KDM4EKDRALDH1A1
SCHEMBL17375521 0.81 SIRT6 (0.51) LMNASIRT6HTTPOLBCYP3A4

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 LMNA 4591/4885SIRT6 2907/4885HTT 2927/4885

“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.