SCHEMBL21473565

SCHEMBL21473565

COC(=O)c1cc(OC)c(OCC2CCN(C)CC2)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
HTR4 Q13639 6/20 0.50
EHMT2 Q96KQ7 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
KDR P35968 4/20 0.43
PDPK1 O15530 1/20 0.43
ACHE P22303 1/20 0.43
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR1D P28221 1/20 0.42
ADRA1B P35368 1/20 0.42
HTR2B P41595 1/20 0.42
HTR3A P46098 1/20 0.42
EGFR P00533 3/20 0.42
FGFR1 P11362 2/20 0.42

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
SCHEMBL30017160 1.00 KDM4E (0.58) KDM4EHTR4EHMT2ALDH1A1LMNA
SCHEMBL1613999 0.90 HTR4 (0.47) KDM4EHTR4EHMT2PDPK1ACHE
SCHEMBL4423936 0.89 HTR4 (0.51) KDM4EHTR4EHMT2KDRPDPK1
SCHEMBL26651130 0.87 KDM4E (0.62) KDM4EHTR4ALDH1A1ACHEHTR2B
SCHEMBL8306125 0.85 EHMT2 (0.53) HTR4EHMT2KDRPDPK1ADRA2C
SCHEMBL21473658 0.82 LMNA (0.48) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL30017059 0.82 LMNA (0.48) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL6406771 0.80 HTR4 (0.50) KDM4EHTR4ACHECHRM4CHRM5
SCHEMBL30764768 0.79 KDM4E (0.58) KDM4EHTR4EHMT2ALDH1A1LMNA
SCHEMBL17375500 0.79 KDM4E (0.58) KDM4EHTR4EHMT2ALDH1A1LMNA

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 KDM4E 4077/4885HTR4 2702/4885EHMT2 4473/4885

“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.