SCHEMBL5379530

SCHEMBL5379530

CC(=O)O[C@@H](C(=O)Nc1cccc(-c2nn(C3CCC(C#N)CO3)c3ccccc23)c1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPT P10636 6/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
LMNA P02545 3/20 0.34
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TAS2R8 Q9NYW2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CREBBP Q92793 1/20 0.33
GAA P10253 1/20 0.33
GLS O94925 2/20 0.33
MCHR1 Q99705 2/20 0.33
USP30 Q70CQ3 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL5377074 0.91 CREBBP (0.35) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL5377708 0.86 ALDH1A1 (0.44) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL5381398 0.82 IKBKB (0.41) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL5377526 0.82 MAPK1 (0.41) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL5377774 0.81 MAP4K4 (0.40) TSHRALDH1A1KDM4EHPGDLMNA
SCHEMBL5373418 0.81 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL5377535 0.80 ACP1 (0.35) ALDH1A1HPGDMEN1KMT2ACREBBP
SCHEMBL5379526 0.80 TSHR (0.41) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL5381611 0.79 MTOR (0.34) ALDH1A1MAPTHPGDLMNAMEN1
SCHEMBL5375461 0.71 MAPT (0.37) TSHRALDH1A1MAPTKDM4EHPGD

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 10 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
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 (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 TSHR 3693/4885ALDH1A1 2112/4885MAPT 1003/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TSHR 3522/4885ALDH1A1 2864/4885MAPT 1000/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT TSHR 4230/4885ALDH1A1 474/4885MAPT 4119/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TSHR 3432/4885ALDH1A1 2838/4885MAPT 978/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TSHR 3522/4885ALDH1A1 2864/4885MAPT 1000/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R TSHR 2779/4885ALDH1A1 1851/4885MAPT 1102/4885

“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.