SCHEMBL21886669

SCHEMBL21886669

CN1CCC(Oc2c(O[C@H]3CCOC3)ccc(N)c2C#N)C(F)(F)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
IKBKE Q14164 3/20 0.34
TBK1 Q9UHD2 3/20 0.34
ALK Q9UM73 1/20 0.32
VEGFA P15692 1/20 0.32
CHEK1 O14757 2/20 0.32
PDE4D Q08499 7/20 0.32
PDE4B Q07343 4/20 0.31
PDE4A P27815 3/20 0.31
PDE4C Q08493 3/20 0.31

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
SCHEMBL28564240 1.00 EGFR (0.37) EGFRERBB2MAPK8MAPK9IKBKE
SCHEMBL21886628 0.89 ERBB2 (0.39) EGFRERBB2MAPK8MAPK9IKBKE
SCHEMBL28555129 0.89 ERBB2 (0.39) EGFRERBB2MAPK8MAPK9IKBKE
SCHEMBL28569853 0.87 PDE4D (0.36) EGFRERBB2MAPK8MAPK9CHEK1
SCHEMBL28569856 0.87 PDE4D (0.36) EGFRERBB2MAPK8MAPK9CHEK1
SCHEMBL25987141 0.85 ERBB2 (0.37) EGFRERBB2TBK1VEGFACHEK1
SCHEMBL21886635 0.84 EGFR (0.35) EGFRERBB2IKBKETBK1CHEK1
SCHEMBL30988768 0.82 ERBB2 (0.34) ERBB2TBK1CHEK1
SCHEMBL28559957 0.80 CHEK1 (0.38) EGFRERBB2MAPK8MAPK9CHEK1
SCHEMBL21886730 0.80 CHEK1 (0.38) EGFRERBB2MAPK8MAPK9CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255772-A Quinazoline derivatives as antitumor agents 苏州赞荣医药科技有限公司 2024-06-28 CN disclosed
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2023-09-21 US disclosed
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2023-09-21 US disclosed
US-11723908-B2 Quinazoline derivatives as antitumor agents SUZHOU ZANRONG PHARMA LIMITED (CN) 2023-08-15 US disclosed
US-11723908-B2 Quinazoline derivatives as antitumor agents SUZHOU ZANRONG PHARMA LIMITED (CN) 2023-08-15 US disclosed
US-20210386742-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2021-12-16 US disclosed
CN-112654612-A Quinazoline derivatives as antitumor agents 苏州赞荣医药科技有限公司 2021-04-13 CN disclosed
WO-2020057511-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS SUZHOU ZANRONG PHARMA LIMITED (CN) 2020-03-26 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 (3 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-20210386742-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ABL1, TP53, JAK1 EGFR 117/4885ERBB2 29/4885MAPK8 113/4885
US-11723908-B2 Quinazoline derivatives as antitumor agents ABL1, TP53, JAK1 EGFR 117/4885ERBB2 29/4885MAPK8 113/4885
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ABL1, TP53, JAK1 EGFR 117/4885ERBB2 29/4885MAPK8 113/4885

“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.