SCHEMBL25258613

SCHEMBL25258613

O=[N+]([O-])c1cc2c(Nc3ccnc(-c4ccccc4F)c3)ncnc2cc1O[C@@H]1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.44
▸ FBP1 P09467 1/20 0.43
▸ ABCG2 Q9UNQ0 4/20 0.39
▸ PIM1 P11309 3/20 0.38
▸ MET P08581 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ ERBB2 P04626 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ KRAS P01116 1/20 0.37
▸ SOS1 Q07889 1/20 0.37

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
SCHEMBL26055465 0.90 EGFR (0.47) EGFRFBP1ABCG2METKDR
SCHEMBL25207968 0.86 EGFR (0.48) EGFRFBP1ABCG2KDRERBB2
SCHEMBL25370288 0.86 EGFR (0.48) EGFRFBP1ABCG2KDRERBB2
SCHEMBL25214129 0.85 EGFR (0.42) EGFRFBP1ABCG2KDRERBB2
SCHEMBL25371653 0.85 EGFR (0.42) EGFRFBP1ABCG2KDRERBB2
SCHEMBL25239983 0.83 EGFR (0.49) EGFRKDRERBB2
SCHEMBL29382657 0.83 EGFR (0.43) EGFRFBP1ABCG2KDRERBB2
SCHEMBL25239984 0.83 EGFR (0.49) EGFRKDRERBB2
SCHEMBL25663551 0.82 EGFR (0.55) EGFRKDRERBB2
SCHEMBL29382995 0.82 MET (0.41) EGFRABCG2PIM1METKDR

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 7 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
US-20230271936-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-08-31 — — US 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
WO-2022033410-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-02-17 — — 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 (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 1/4885FBP1 358/4885ABCG2 264/4885

“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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