SCHEMBL5380109

SCHEMBL5380109

O=C(O)CCCC(=O)Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAP4K4 O95819 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
FGFR1 P11362 1/20 0.33
DDR2 Q16832 1/20 0.33
MCL1 Q07820 1/20 0.33
PARP1 P09874 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC1 Q13547 5/20 0.32
HDAC6 Q9UBN7 5/20 0.32
HDAC3 O15379 4/20 0.32
HDAC2 Q92769 4/20 0.32
HDAC10 Q969S8 4/20 0.32

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
SCHEMBL5378724 0.94 SMN1; SMN2 (0.39) L3MBTL1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL5397809 0.93 PTPN1 (0.36) HPGDKDM4EALDH1A1HSD17B10MAP4K4
SCHEMBL5380244 0.92 MMP2 (0.36) HPGDKDM4EALDH1A1HSD17B10MAP4K4
SCHEMBL14554188 0.92 MAP4K4 (0.36) HPGDALDH1A1HSD17B10MAP4K4RXRA
SCHEMBL5386995 0.91 MAPT (0.38) HPGDKDM4EALDH1A1HSD17B10MAP4K4
SCHEMBL5373247 0.90 ECE1 (0.38) HPGDKDM4EALDH1A1MAP4K4RXRA
SCHEMBL5383426 0.90 MAP4K4 (0.38) KDM4EALDH1A1MAP4K4FGFR1DDR2
SCHEMBL5372575 0.89 MAP4K4 (0.38) KDM4EMAP4K4RXRARXRBRXRG
SCHEMBL5377561 0.88 FGFR1 (0.34) L3MBTL1HPGDALDH1A1HSD17B10MAP4K4
SCHEMBL5374903 0.88 SMN1; SMN2 (0.39) HPGDKDM4EALDH1A1MAP4K4RXRA

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 11 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-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 (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 L3MBTL1 2642/4885HPGD 1311/4885KDM4E 4025/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 L3MBTL1 3141/4885HPGD 1197/4885KDM4E 3665/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT L3MBTL1 1035/4885HPGD 1005/4885KDM4E 1464/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 L3MBTL1 3245/4885HPGD 1073/4885KDM4E 3349/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R L3MBTL1 3842/4885HPGD 1099/4885KDM4E 3465/4885

“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.