SCHEMBL5373426

SCHEMBL5373426

CCCc1cccc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.65
HPGD P15428 1/20 0.65
MAP2K4 P45985 1/20 0.49
CDK2 P24941 1/20 0.47
CNR2 P34972 3/20 0.45
NPBWR1 P48145 1/20 0.45
MAP2K7 O14733 1/20 0.44
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EGFR P00533 3/20 0.42
IGF1R P08069 3/20 0.42
KDM4E B2RXH2 1/20 0.42
FGFR1 P11362 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
ALOX5 P09917 1/20 0.41
TTK P33981 2/20 0.40
MAPK8 P45983 2/20 0.40

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
SCHEMBL5381610 0.87 MAPT (0.66) MAPTHPGDMAP2K4CDK2CNR2
SCHEMBL5378145 0.84 MAPT (0.81) MAPTHPGDCDK2CNR2MAP2K7
SCHEMBL5386442 0.81 MAPT (0.64) MAPTHPGDCNR2MAP2K7CNR1
SCHEMBL5375082 0.80 MAPT (0.84) MAPTHPGDMAP2K4CDK2CNR2
SCHEMBL4007995 0.80 MAPT (1.00) MAPTHPGDCDK2CNR2NPBWR1
SCHEMBL5373423 0.79 MAPT (0.68) MAPTHPGDMAP2K4CDK2CNR2
SCHEMBL5377226 0.77 MAPT (0.94) MAPTHPGDCDK2CNR2NPBWR1
SCHEMBL3343737 0.77 MAPT (0.55) MAPTHPGDCDK2CNR2NPBWR1
SCHEMBL5377614 0.77 MAP2K4 (0.62) MAP2K4FGFR1TTKMAPK8
SCHEMBL5378388 0.76 MAPT (0.68) MAPTHPGDMAP2K4MAP2K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 US disclosed
US-7211594-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-01 US disclosed
US-7208513-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-04-24 US disclosed
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US disclosed
US-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 US disclosed
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SINGNAL PHARMACEUTICALS, INC. 2005-05-19 US disclosed
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 US disclosed
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. 2004-04-22 US disclosed
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
WO-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO disclosed
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2002-08-01 US disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 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 (6 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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK MAPK1, MAP3K1, MAPKAPK2 MAPT 1003/4885HPGD 1311/4885MAP2K4 130/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAPT 1000/4885HPGD 1197/4885MAP2K4 71/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT MAPT 4119/4885HPGD 1005/4885MAP2K4 3021/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAPT 978/4885HPGD 1073/4885MAP2K4 58/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAPT 1000/4885HPGD 1197/4885MAP2K4 71/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R MAPT 1102/4885HPGD 1099/4885MAP2K4 385/4885

“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.