Sugi Predict

Sugi Predict / Compounds / SCHEMBL24251661

SCHEMBL24251661

SCHEMBL24251661

COc1nc(Br)c([N+](=O)[O-])cc1NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ GALR2 O43603 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 4/20 0.43
▸ KMT2A Q03164 5/20 0.41
▸ HTT P42858 2/20 0.41
▸ SLC9A1 P19634 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL29756268 1.00 ALDH1A1 (0.46) ALDH1A1NPSR1POLBGALR2MITF
SCHEMBL10745494 0.87 POLB (0.49) ALDH1A1NPSR1POLBGALR2MITF
SCHEMBL28359193 0.85 POLB (0.45) ALDH1A1NPSR1POLBGALR2MITF
SCHEMBL17490464 0.84 NPSR1 (0.46) ALDH1A1NPSR1POLBGALR2MITF
SCHEMBL28973017 0.83 POLB (0.44) ALDH1A1NPSR1POLBGALR2MITF
SCHEMBL29389430 0.82 NPSR1 (0.46) ALDH1A1NPSR1POLBGALR2MITF
SCHEMBL24251729 0.82 NPSR1 (0.46) ALDH1A1NPSR1POLBGALR2MITF
SCHEMBL31149365 0.80 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2KMT2AHTT
SCHEMBL24251673 0.78 ALDH1A1 (0.44) ALDH1A1NPSR1POLBGALR2MITF
SCHEMBL17490478 0.76 ALDH1A1 (0.42) ALDH1A1NPSR1POLBGALR2MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-03 — — US disclosed
EP-4382511-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY Abbisko Therapeutics Co., Ltd. (CN) 2024-06-12 — — EP disclosed
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
CN-117440945-A Pyrimidine or pyridine derivative, preparation method thereof and application thereof in pharmacy 上海和誉生物医药科技有限公司 2024-01-23 — — CN 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
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-2023011505-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY 上海和誉生物医药科技有限公司 2023-02-09 — — WO disclosed
WO-2023011505-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY 上海和誉生物医药科技有限公司 2023-02-09 — — WO disclosed
CN-110642838-B EGFR inhibitor and preparation and application thereof 江苏威凯尔医药科技有限公司 2022-08-09 — — CN disclosed
CN-110642836-B EGFR inhibitor and preparation and application thereof 江苏威凯尔医药科技有限公司 2022-08-09 — — 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-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
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
CN-110642836-A EGFR inhibitor and preparation and application thereof 江苏威凯尔医药科技有限公司 2020-01-03 — — CN disclosed
CN-110642838-A EGFR inhibitor and preparation and application thereof 江苏威凯尔医药科技有限公司 2020-01-03 — — 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 (2 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 ALDH1A1 1961/4885NPSR1 4594/4885POLB 1410/4885
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY WEE1, WEE2, EGFR ALDH1A1 1967/4885NPSR1 4246/4885POLB 1125/4885

“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.