SCHEMBL5375461

SCHEMBL5375461

CC(=O)O[C@@H](C(=O)Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HTR1E P28566 1/20 0.37
S1PR3 Q99500 1/20 0.37
TSHR P16473 2/20 0.34
FGFR1 P11362 1/20 0.33
DDR2 Q16832 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MCL1 Q07820 1/20 0.32
GAA P10253 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
CPT1A P50416 2/20 0.31
CPT2 P23786 1/20 0.31
GGPS1 O95749 4/20 0.31
CPT1B Q92523 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
IDH2 P48735 1/20 0.30
ITK Q08881 1/20 0.30

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
SCHEMBL7175994 1.00 MAPT (0.37) MAPTALDH1A1LMNAHTR1ES1PR3
SCHEMBL5377529 0.88 MEN1 (0.39) MAPTALDH1A1LMNATSHRFGFR1
SCHEMBL5380102 0.88 FGFR1 (0.34) MAPTALDH1A1LMNAFGFR1DDR2
SCHEMBL5398147 0.87 FGFR1 (0.35) MAPTALDH1A1FGFR1DDR2HPGD
SCHEMBL14554188 0.87 MAP4K4 (0.36) MAPTALDH1A1LMNAFGFR1DDR2
SCHEMBL5391965 0.86 FGFR1 (0.36) MAPTFGFR1DDR2MCL1DGAT2
SCHEMBL5397809 0.86 PTPN1 (0.36) MAPTALDH1A1LMNATSHRFGFR1
SCHEMBL5377561 0.85 FGFR1 (0.34) MAPTALDH1A1TSHRFGFR1DDR2
SCHEMBL5373247 0.85 ECE1 (0.38) MAPTALDH1A1LMNAFGFR1DDR2
SCHEMBL5382293 0.84 FGFR1 (0.35) FGFR1DDR2MCL1DGAT2CPT1A

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 MAPT 1003/4885ALDH1A1 2112/4885LMNA 3465/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAPT 1000/4885ALDH1A1 2864/4885LMNA 3015/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT MAPT 4119/4885ALDH1A1 474/4885LMNA 2698/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAPT 978/4885ALDH1A1 2838/4885LMNA 2859/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAPT 1000/4885ALDH1A1 2864/4885LMNA 3015/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R MAPT 1102/4885ALDH1A1 1851/4885LMNA 3883/4885

“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.