SCHEMBL310970

SCHEMBL310970

COc1cc(Br)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 2/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL14915780 0.93 ALDH1A1 (0.46) CYP1A2ALDH1A1TDP1MAPTKDM4E
SCHEMBL17038146 0.86 CYP1A2 (0.49) CYP1A2ALDH1A1TDP1MAPTKDM4E
SCHEMBL29975509 0.85 ALDH1A1 (0.51) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL5424277 0.85 ALDH1A1 (0.51) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL8089043 0.85 ALDH1A1 (0.52) CYP1A2ALDH1A1TDP1MAPTKDM4E
SCHEMBL6370714 0.83 ALDH1A1 (0.50) CYP1A2ALDH1A1TDP1MAPTKDM4E
SCHEMBL1771728 0.83 PDK1 (0.47) CYP1A2ALDH1A1TDP1MAPTCYP3A4
SCHEMBL517401 0.82 HTT (0.50) CYP1A2ALDH1A1TDP1MAPTKDM4E
SCHEMBL29785411 0.82 HTT (0.50) CYP1A2ALDH1A1TDP1MAPTKDM4E
SCHEMBL10207317 0.82 ALDH1A1 (0.46) CYP1A2ALDH1A1TDP1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230322822-A1 ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF CHENGDU DI'AO JIUHONG PHARMACEUTICAL FACTORY (CN) 2023-10-12 US disclosed
EP-3150592-B1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
EP-4217348-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BeiGene, Ltd. (KY) 2023-08-02 EP disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
CN-116249690-A Indoline compounds and derivatives as EGFR inhibitors 百济神州有限公司 2023-06-09 CN disclosed
US-20230158157-A1 POTENT AND SELECTIVE DEGRADERS OF ALK DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-25 US disclosed
US-20230158157-A1 POTENT AND SELECTIVE DEGRADERS OF ALK DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-25 US disclosed
EP-4177258-A1 ARYLPHOSPHINE OXIDE COMPOUNDS AND USE THEREOF Chengdu Di'Ao Jiuhong Pharmaceutical Factory (CN) 2023-05-10 EP disclosed
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 US disclosed
EP-2188292-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2010-05-26 EP disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US 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 (7 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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 CYP1A2 3286/4885ALDH1A1 3986/4885TDP1 1830/4885
US-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 CYP1A2 2237/4885ALDH1A1 3410/4885TDP1 1064/4885
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF SLCO2B1, SLCO2A1, SLCO1B3 CYP1A2 583/4885ALDH1A1 1189/4885TDP1 2468/4885
US-20230322822-A1 ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF ALK, EGFR, ROS1 CYP1A2 2303/4885ALDH1A1 2043/4885TDP1 2966/4885
US-20230158157-A1 POTENT AND SELECTIVE DEGRADERS OF ALK ALK, ERBB2, PDGFRB CYP1A2 3390/4885ALDH1A1 2106/4885TDP1 1092/4885
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 CYP1A2 1853/4885ALDH1A1 378/4885TDP1 2117/4885
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 CYP1A2 3174/4885ALDH1A1 2690/4885TDP1 2827/4885

“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.