SCHEMBL6830223

SCHEMBL6830223

CN1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
LMNA P02545 4/20 0.62
KMT2A Q03164 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2D6 P10635 2/20 0.62
MEN1 O00255 1/20 0.62
CYP2C9 P11712 1/20 0.62
SIRT6 Q8N6T7 1/20 0.58
GAA P10253 2/20 0.57
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
WDR5 P61964 5/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL29556648 1.00 ALDH1A1 (0.62) ALDH1A1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL7795268 0.88 ALDH1A1 (0.58) ALDH1A1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL30310769 0.88 ALDH1A1 (0.53) ALDH1A1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL30310802 0.87 ALDH1A1 (0.50) ALDH1A1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL15508779 0.86 GAA (0.67) ALDH1A1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL14707194 0.84 GAA (0.69) ALDH1A1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL1026206 0.84 GAA (0.47) ALDH1A1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL3313887 0.83 GAA (0.72) ALDH1A1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL30464734 0.83 ALDH1A1 (0.66) ALDH1A1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL2461666 0.83 ALDH1A1 (0.66) ALDH1A1LMNAKMT2ACYP1A2CYP3A4

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137703-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECH LIMITED (GB) 2026-05-21 US disclosed
EP-4612148-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
CN-115197221-B Dihydropyrazolopyrimidinone macrocyclic derivatives and their use 轩竹(北京)医药科技有限公司 2024-05-24 CN disclosed
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed
US-20230075765-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE TARGETING EGFR MUTATION, AS WELL AS THE PREPARATIVE METHOD AND THE USE THEREOF CHENGDU WEST CHINA PRECISION MEDICINE INDUSTRY TECHNOLOGY RESEARCH INSTITUTE CO., LTD (CN) 2023-03-09 US disclosed
WO-2023011610-A1 BENZODIOXANE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 南京红云生物科技有限公司 2023-02-09 WO disclosed
CN-115197221-A Dihydropyrazolopyrimidinone macrocyclic derivatives and application thereof 轩竹生物科技股份有限公司 2022-10-18 CN disclosed
CN-111848631-B Pyrrolo [2,3-d ] pyrimidine derivative targeting EGFR mutation and preparation method and application thereof 四川大学华西医院 2022-04-19 CN disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
CN-111848631-A Pyrrolo [2,3-d ] pyrimidine derivative targeting EGFR mutation and preparation method and application thereof 四川大学华西医院 2020-10-30 CN disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
US-20140031351-A1 Macrocyclic Compounds as ALK, FAK and JAK2 Inhibitors CEPHALON, INC. (US) 2014-01-30 US disclosed
EP-2686323-A1 MACROCYCLIC COMPOUNDS AS ALK, FAK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2014-01-22 EP disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
WO-2012125603-A1 MACROCYCLIC COMPOUNDS AS ALK, FAK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-09-20 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2004046118-A2 2-4-(DI-PHENYL-AMINO)-PYRIMIDINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-03 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 (5 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALDH1A1 2511/4885LMNA 4393/4885KMT2A 382/4885
US-20260137703-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER EGFR, KRAS, O60361 ALDH1A1 999/4885LMNA 1830/4885KMT2A 3265/4885
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 ALDH1A1 2764/4885LMNA 3229/4885KMT2A 961/4885
US-20230075765-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE TARGETING EGFR MUTATION, AS WELL AS THE PREPARATIVE METHOD AND THE USE THEREOF EGFR, ERBB2, PTPN7 ALDH1A1 2967/4885LMNA 4834/4885KMT2A 2754/4885
US-20140031351-A1 Macrocyclic Compounds as ALK, FAK and JAK2 Inhibitors JAK2, ALK, JAK1 ALDH1A1 1755/4885LMNA 2984/4885KMT2A 781/4885

“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.