SCHEMBL25220782

SCHEMBL25220782

O=C(O)N1CCN(CCCOc2cc3ncnc(Nc4ccnc(-c5ccccc5F)c4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.49
▸ KDR P35968 5/20 0.47
▸ AURKA O14965 3/20 0.47
▸ AURKB Q96GD4 3/20 0.47
▸ PDGFRB P09619 2/20 0.47
▸ TEK Q02763 2/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ FLT4 P35916 1/20 0.47
▸ ROCK2 O75116 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ RET P07949 1/20 0.44
▸ MET P08581 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ LTK P29376 1/20 0.44
▸ TTK P33981 1/20 0.44
▸ MAP2K2 P36507 1/20 0.44

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
SCHEMBL26055501 0.92 EGFR (0.51) EGFRKDRAURKAAURKBPDGFRB
SCHEMBL25246042 0.91 EGFR (0.48) EGFRKDRAURKAAURKBPDGFRB
SCHEMBL25215929 0.90 EGFR (0.53) EGFRKDRAURKAAURKBPDGFRB
SCHEMBL28969396 0.89 EGFR (0.46) EGFRKDRAURKAAURKBPDGFRB
SCHEMBL25663596 0.88 EGFR (0.47) EGFRKDRAURKAAURKBPDGFRB
SCHEMBL25215331 0.84 EPHA2 (0.45) EGFRKDRAURKAAURKBPDGFRB
SCHEMBL25239984 0.83 EGFR (0.49) EGFRKDRERBB2
SCHEMBL25239983 0.83 EGFR (0.49) EGFRKDRERBB2
SCHEMBL26055503 0.79 EGFR (0.52) EGFRKDRAURKAAURKBPDGFRB
SCHEMBL25370288 0.78 EGFR (0.48) EGFRKDRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115803325-B EGFR inhibitor and preparation method and application thereof 上海和誉生物医药科技有限公司 2024-04-26 — — CN disclosed
US-20230271936-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-08-31 — — US disclosed
EP-4194443-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-06-14 — — EP disclosed
CN-115803325-A EGFR inhibitor and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-14 — — CN 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 (1 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-20230271936-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF EGFR, WEE1, WEE2 EGFR 1/4885KDR 33/4885AURKA 2179/4885

“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.

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