SCHEMBL21886642

SCHEMBL21886642

COc1ccc2nc[nH]c(=O)c2c1OC1CCN(C)CC1(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 13/20 0.46
EGFR P00533 7/20 0.37
SRC P12931 1/20 0.36
PARP1 P09874 2/20 0.35
NFE2L2 Q16236 1/20 0.33
KMT2A Q03164 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL21886729 0.91 ERBB2 (0.39) ERBB2EGFRPARP1
SCHEMBL24106809 0.90 ERBB2 (0.38) ERBB2EGFRSRCPARP1KMT2A
SCHEMBL3279714 0.83 SRC (0.49) ERBB2EGFRSRCPARP1NFE2L2
SCHEMBL21886734 0.83 PIK3CD (0.40) KMT2ACCNT1CDK9
SCHEMBL25987116 0.82 PARP1 (0.37) ERBB2EGFRSRCPARP1KMT2A
SCHEMBL21886644 0.82 CLK2 (0.38) ERBB2EGFRSRCPARP1KMT2A
SCHEMBL21474547 0.81 ERBB2 (0.47) ERBB2EGFRSRC
SCHEMBL30988720 0.80 ERBB2 (0.53) ERBB2EGFRSRC
SCHEMBL21886643 0.80 ERBB2 (0.53) ERBB2EGFRSRC
Trifluoroacetic Acid SCHEMBL30513778 0.76 CLK2 (0.34) ERBB2EGFRPARP1

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 ERBB2 29/4885EGFR 117/4885SRC 93/4885
US-11723908-B2 Quinazoline derivatives as antitumor agents ABL1, TP53, JAK1 ERBB2 29/4885EGFR 117/4885SRC 93/4885
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ABL1, TP53, JAK1 ERBB2 29/4885EGFR 117/4885SRC 93/4885

“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.