SCHEMBL2260073

SCHEMBL2260073

Cc1ccc(C(=O)O)c([N+](=O)[O-])c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
CYP3A4 P08684 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 6/20 0.45
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 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
SCHEMBL14440019 0.88 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL1644833 0.88 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL30626464 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL26963219 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL28300921 0.83 TSHR (0.53) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL29561089 0.81 TSHR (0.51) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL1355836 0.81 TSHR (0.51) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL14269307 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1TSHRRECQL
SCHEMBL30842645 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1TSHRRECQL
SCHEMBL503509 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953146-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl) amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form The Board of Regents of the University of Nebraska (US) 2008-08-06 EP claimed
US-20060122248-A1 Methods of making 6-[(4,5-dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2006-06-08 US claimed
EP-1594862-A1 METHODS OF MAKING 6- (4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-&rs qb;-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM The Board of Regents of the University of Nebraska (US) 2005-11-16 EP claimed
WO-2004074279-A1 METHODS OF MAKING 6-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-]-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2004-09-02 WO claimed
US-20040167194-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2004-08-26 US claimed
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA INC (US) 2026-04-16 US disclosed
EP-3508204-B1 QUINAZOLIN-8-YL DERIVATIVES FOR USE IN METHODS OF TREATING MELANOMA, NON-SMALL CELL LUNG CANCER, THYROID CANCER, OVARIAN CANCER, OR COLON CANCER NEUPHARMA INC (US) 2026-02-11 EP disclosed
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC (US) 2025-09-02 US disclosed
US-20240197752-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA INC 2024-06-20 US disclosed
US-11865120-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2024-01-09 US disclosed
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 US disclosed
US-20220354864-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA, INC. 2022-11-10 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20060122248-A1 Methods of making 6-[(4,5-dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2006-06-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed
EP-1594862-A1 METHODS OF MAKING 6- (4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-&rs qb;-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM The Board of Regents of the University of Nebraska (US) 2005-11-16 EP disclosed
WO-2004074279-A1 METHODS OF MAKING 6-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-]-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2004-09-02 WO disclosed
US-20040167194-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2004-08-26 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 (9 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-20040167194-A1 Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form AGTR2, ALDH1A2, REN ALDH1A1 196/4885CYP3A4 1494/4885TDP1 4251/4885
US-20240197752-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 ALDH1A1 3691/4885CYP3A4 2421/4885TDP1 1037/4885
US-11865120-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 ALDH1A1 3691/4885CYP3A4 2421/4885TDP1 1037/4885
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 ALDH1A1 3691/4885CYP3A4 2421/4885TDP1 1037/4885
US-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS ALDH1A1 1640/4885CYP3A4 2722/4885TDP1 3486/4885
US-20220354864-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 ALDH1A1 3691/4885CYP3A4 2421/4885TDP1 1037/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 ALDH1A1 1563/4885CYP3A4 622/4885TDP1 1980/4885
US-20060122248-A1 Methods of making 6-[(4,5-dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form AGTR2, ALDH1A2, REN ALDH1A1 119/4885CYP3A4 1504/4885TDP1 4339/4885
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY BRAF, TTK, MAP4K2 ALDH1A1 3080/4885CYP3A4 1085/4885TDP1 1468/4885

“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.