SCHEMBL21886653

SCHEMBL21886653

COC(=O)c1c(/N=C/N(C)C)ccc(OC)c1O[C@@H]1CCN(C)CC1(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 0.36
EGFR P00533 4/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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 0.81 ERBB2 (0.34) ERBB2ALDH1A1MAPT
SCHEMBL26980240 0.74 ERBB2 (0.36) ERBB2EGFRKDM4EALDH1A1GAA
SCHEMBL21886632 0.74 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL21886693 0.74 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL22232285 0.71 EGFR (0.35) ERBB2EGFRALDH1A1
SCHEMBL21473392 0.71 EGFR (0.35) ERBB2EGFRALDH1A1
SCHEMBL22232287 0.71 EGFR (0.35) ERBB2EGFRALDH1A1
SCHEMBL21481104 0.70 TBK1 (0.36) ERBB2EGFRMAPT
SCHEMBL21886635 0.70 EGFR (0.35) ERBB2EGFR
SCHEMBL25987141 0.65 ERBB2 (0.37) ERBB2EGFRKDM4EALDH1A1MAPT

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 ERBB2 29/4885EGFR 117/4885KDM4E 3671/4885
US-11723908-B2 Quinazoline derivatives as antitumor agents ABL1, TP53, JAK1 ERBB2 29/4885EGFR 117/4885KDM4E 3671/4885
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ABL1, TP53, JAK1 ERBB2 29/4885EGFR 117/4885KDM4E 3671/4885

“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.