SCHEMBL3384680

SCHEMBL3384680

O=C(O)c1n[nH]c2cc(-c3ccc([N+](=O)[O-])cc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 8/20 0.49
PRKAA1 Q13131 8/20 0.49
PRKAB1 Q9Y478 8/20 0.49
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PRKAB2 O43741 7/20 0.43
PRKAA2 P54646 7/20 0.43
PRKAG3 Q9UGI9 7/20 0.43
PRKAG2 Q9UGJ0 7/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42

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
SCHEMBL1176227 0.89 MAPT (0.50) MAPTHPGDMEN1GAAKMT2A
SCHEMBL3384140 0.85 PAK1 (0.58) MAPTHPGDMEN1GAAKMT2A
SCHEMBL6478420 0.80 JAK2 (0.62) MAPTHPGDJAK2
SCHEMBL13337374 0.80 PRKAG1 (0.53) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL959264 0.80 MAPT (0.61) PRKAG1PRKAA1PRKAB1MAPTHPGD
SCHEMBL3380509 0.80 FGFR1 (0.58) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL8597936 0.79 MAP2K7 (0.48) MAPTHPGDMEN1GAAKMT2A
Methylamine SCHEMBL27730181 0.77 MAPT (0.57) PRKAG1PRKAA1PRKAB1MAPTHPGD
SCHEMBL12879075 0.75 PRKAG1 (0.46) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL3386730 0.74 PDPK1 (0.67) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754209-B2 Indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-06-17 US disclosed
US-8754209-B2 Indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-06-17 US disclosed
US-20120130069-A1 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-05-24 US disclosed
US-20120130069-A1 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-05-24 US disclosed
CN-102239150-A Novel indazole derivatives or pharmaceutically acceptable salts thereof as protein kinase inhibitors for proliferative diseases treatment, and a pharmaceutical composition containing the same as an active ingredient KOREA INST SCI & TECH 2011-11-09 CN disclosed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO disclosed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 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 (1 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-20120130069-A1 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT RAF1, RET, KDR PRKAG1 691/4885PRKAA1 285/4885PRKAB1 587/4885

“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.