SCHEMBL21886695

SCHEMBL21886695

COc1cc(OC2CCNCC2(F)F)c2c(=O)[nH]cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.46
ERBB2 P04626 4/20 0.46
SGK1 O00141 4/20 0.36
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
BRD4 O60885 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
SRC P12931 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
PDPK1 O15530 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
JUND P17535 1/20 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
SCHEMBL21474547 0.82 ERBB2 (0.47) EGFRERBB2BRD4SRC
SCHEMBL21886644 0.80 CLK2 (0.38) EGFRERBB2SGK1CLK2CLK3
SCHEMBL615784 0.77 PDE3B (0.50) BRD4PDE3BPDE3ASRCKDM4E
SCHEMBL29609262 0.77 PDE3B (0.50) BRD4PDE3BPDE3ASRCKDM4E
SCHEMBL3282936 0.77 ALDH1A1 (0.41) EGFRBRD4SRCKDM4ENPC1
SCHEMBL29285047 0.76 STS (0.39) EGFRERBB2KDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL30513778 0.74 CLK2 (0.34) EGFRERBB2CLK2CLK3DYRK1A
SCHEMBL1015994 0.74 EGFR (0.48) EGFRSRC
SCHEMBL21886733 0.73 CLK2 (0.36) EGFRERBB2CLK2CLK3DYRK1A
SCHEMBL3275698 0.73 SRC (0.51) EGFRBRD4SRC

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 29/4885SGK1 344/4885
US-11723908-B2 Quinazoline derivatives as antitumor agents ABL1, TP53, JAK1 EGFR 117/4885ERBB2 29/4885SGK1 344/4885
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ABL1, TP53, JAK1 EGFR 117/4885ERBB2 29/4885SGK1 344/4885

“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.