SCHEMBL559811

SCHEMBL559811

CC(=O)Nc1c(C)ccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 2/20 0.40
RORC P51449 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 2/20 0.39
KCNMA1 Q12791 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL1646973 0.89 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL3635793 0.87 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL11744524 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL11522426 0.81 RORC (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL4639251 0.80 TSHR (0.40) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL28300921 0.78 TSHR (0.53) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL5875056 0.77 KMT2A (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL29561089 0.76 TSHR (0.51) ALDH1A1TSHRSMN1; SMN2MAPTPKM
SCHEMBL1355836 0.76 TSHR (0.51) ALDH1A1TSHRSMN1; SMN2MAPTPKM
SCHEMBL28088184 0.76 MAPT (0.45) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 CN disclosed
US-11304957-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2022-04-19 US disclosed
US-7304084-B2 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-12-04 US disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007076092-A2 NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC. (US) 2007-07-05 WO 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
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 (10 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 196/4885KDM4E 1459/4885TSHR 4384/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 ALDH1A1 2020/4885KDM4E 1653/4885TSHR 1037/4885
US-20240197752-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 ALDH1A1 3691/4885KDM4E 963/4885TSHR 4017/4885
US-11865120-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 ALDH1A1 3691/4885KDM4E 963/4885TSHR 4017/4885
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 ALDH1A1 3691/4885KDM4E 963/4885TSHR 4017/4885
US-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS ALDH1A1 1640/4885KDM4E 2066/4885TSHR 2016/4885
US-11304957-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 ALDH1A1 3691/4885KDM4E 963/4885TSHR 4017/4885
US-20220354864-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 ALDH1A1 3691/4885KDM4E 963/4885TSHR 4017/4885
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 119/4885KDM4E 1460/4885TSHR 4497/4885
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY BRAF, TTK, MAP4K2 ALDH1A1 3080/4885KDM4E 1359/4885TSHR 2013/4885

“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.