SCHEMBL21886635

SCHEMBL21886635

CN(C)/C=N/c1ccc(O[C@H]2CCOC2)c(OC2CCN(C)CC2(F)F)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
IKBKE Q14164 2/20 0.31
TBK1 Q9UHD2 2/20 0.31
CHEK1 O14757 2/20 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
SCHEMBL25987143 0.87 ERBB2 (0.34) ERBB2TBK1CHEK1
SCHEMBL21886628 0.84 ERBB2 (0.39) EGFRERBB2IKBKETBK1CHEK1
SCHEMBL28564240 0.84 EGFR (0.37) EGFRERBB2IKBKETBK1CHEK1
SCHEMBL28555129 0.84 ERBB2 (0.39) EGFRERBB2IKBKETBK1CHEK1
SCHEMBL21886669 0.84 EGFR (0.37) EGFRERBB2IKBKETBK1CHEK1
SCHEMBL21886693 0.83 ALDH1A1 (0.30)
SCHEMBL21886632 0.82 ALDH1A1 (0.30)
SCHEMBL28569853 0.80 PDE4D (0.36) EGFRERBB2CHEK1
SCHEMBL28569856 0.80 PDE4D (0.36) EGFRERBB2CHEK1
SCHEMBL21886730 0.76 CHEK1 (0.38) EGFRERBB2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 29/4885IKBKE 133/4885
US-11723908-B2 Quinazoline derivatives as antitumor agents ABL1, TP53, JAK1 EGFR 117/4885ERBB2 29/4885IKBKE 133/4885
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ABL1, TP53, JAK1 EGFR 117/4885ERBB2 29/4885IKBKE 133/4885

“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.