SCHEMBL14699223

SCHEMBL14699223

Nc1ccc(-c2ccc3c(C(=O)O)n[nH]c3c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.58
PRKAG1 P54619 12/20 0.49
PRKAA1 Q13131 12/20 0.49
PRKAB1 Q9Y478 12/20 0.49
ITK Q08881 1/20 0.48
PRKAB2 O43741 11/20 0.46
PRKAA2 P54646 11/20 0.46
PRKAG3 Q9UGI9 11/20 0.46
PRKAG2 Q9UGJ0 11/20 0.46
JAK2 O60674 1/20 0.46
PDPK1 O15530 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
METAP2 P50579 1/20 0.44
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1A Q13627 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL3380509 0.83 FGFR1 (0.58) GSK3BPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL6480460 0.81 PDPK1 (0.65) GSK3BJAK2PDPK1
SCHEMBL3386730 0.80 PDPK1 (0.67) GSK3BPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL13337374 0.77 PRKAG1 (0.53) GSK3BPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL14699279 0.77 PRKACA (0.55) GSK3BPRKAG1PRKAA1PRKAB1ITK
SCHEMBL2919160 0.76 PRKAG1 (0.48) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL24137910 0.75 HAO1 (0.57) GSK3BPRKAG1PRKAA1PRKAB1ITK
SCHEMBL20488801 0.74 PRKAG1 (0.64) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL6488470 0.73 GSK3B (1.00) GSK3B
SCHEMBL2816583 0.73 MAP2K4 (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742040-B1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
US-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-10-16 US disclosed
CN-103889976-A Indazole compounds, compositions and methods of use HOFFMANN LA ROCHE 2014-06-25 CN disclosed
EP-2742040-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-06-18 EP disclosed
WO-2013024011-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 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-20140309210-A1 INDAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CYP3A43, INSR, CYP2C19 GSK3B 645/4885PRKAG1 3725/4885PRKAA1 3585/4885

“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.