SCHEMBL5373072

SCHEMBL5373072

CCOC(=N)c1ccc2[nH]nc(-c3ccc4c(c3)OCCO4)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 6/20 0.55
MAPK1 P28482 6/20 0.55
MAPKAPK3 Q16644 4/20 0.55
MAPK6 Q16659 4/20 0.55
MAPKAPK2 P49137 3/20 0.55
MAPKAPK5 Q8IW41 2/20 0.55
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALPL P05186 1/20 0.49
HSP90AA1 P07900 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AB1 P08238 1/20 0.44
MET P08581 1/20 0.44
PIM1 P11309 1/20 0.44
LTK P29376 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 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
Hydrochloric Acid SCHEMBL5383107 0.99 MAP2K4 (0.54) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL5388508 0.79 MAP2K4 (0.48) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL4084769 0.79 TTK (0.48) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
Hydrochloric Acid SCHEMBL5379125 0.78 MAP2K4 (0.47) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
Hydrochloric Acid SCHEMBL5372198 0.78 MAP2K4 (0.47) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL5377599 0.78 TSHR (0.57) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL19204670 0.78 ALDH1A1 (0.59) MAPK1MAPTNPC1RAB9AHSP90AA1
SCHEMBL4043448 0.77 BTK (0.45) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
Hydrochloric Acid SCHEMBL4083919 0.77 MAP2K4 (0.47) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
Hydrochloric Acid SCHEMBL4083323 0.76 BTK (0.44) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2

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 12 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
EP-1618093-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS Signal Pharmaceuticals LLC (US) 2006-01-25 EP 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
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 MAP2K4 130/4885MAPK1 1/4885MAPKAPK3 13/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAP2K4 71/4885MAPK1 16/4885MAPKAPK3 21/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT MAP2K4 3021/4885MAPK1 2816/4885MAPKAPK3 1964/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAP2K4 58/4885MAPK1 22/4885MAPKAPK3 18/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAP2K4 71/4885MAPK1 16/4885MAPKAPK3 21/4885

“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.