SCHEMBL26110877

SCHEMBL26110877

CCOC(=O)C(C)(C)c1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ FBP1 P09467 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ GALR2 O43603 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ CCR6 P51684 1/20 0.36

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
SCHEMBL30276192 1.00 THRB (0.40) THRBALDH1A1FBP1GAAMAPT
SCHEMBL28813054 0.89 ALDH1A1 (0.39) THRBALDH1A1FBP1GAAMAPT
SCHEMBL2124914 0.86 CYP2C19 (0.44) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL20595604 0.83 LMNA (0.37) THRBALDH1A1FBP1GAAMAPT
SCHEMBL21990036 0.82 MAPT (0.47) THRBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL10378509 0.80 MEN1 (0.40) THRBALDH1A1FBP1GAAMAPT
SCHEMBL16923784 0.78 CYP2C19 (0.50) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL10081960 0.77 THRB (0.44) THRBALDH1A1FBP1GAAMAPT
SCHEMBL29389125 0.77 RAB9A (0.50) THRBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL1269240 0.77 RAB9A (0.50) THRBALDH1A1MAPTSMN1; SMN2KMT2A

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-20240109885-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-04-04 — — US disclosed
EP-4257584-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-10-11 — — EP disclosed
CN-115867539-A 2, 3-dihydro-1H-pyrrolo [3,2-b ] pyridine derivatives, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-28 — — CN disclosed
CN-115836064-A Triazine derivative with EGFR (epidermal growth factor receptor) inhibitory activity and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-21 — — CN disclosed
WO-2022116995-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-06-09 — — WO disclosed
WO-2022033455-A1 TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE 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-20240109885-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, WEE2, EGFR THRB 3252/4885ALDH1A1 1961/4885FBP1 991/4885

“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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