SCHEMBL5381652

SCHEMBL5381652

CN(C)CCCCN(C=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
MKNK1 Q9BUB5 3/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
ADRA2A P08913 2/20 0.34
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL5375062 0.98 KDR (0.38) L3MBTL1SMN1; SMN2KDRHSD17B10MAPK1
SCHEMBL5379510 0.94 KDR (0.39) L3MBTL1SMN1; SMN2KDRHSD17B10MAPK1
SCHEMBL5381414 0.87 KDR (0.40) SMN1; SMN2KDRHSD17B10NPC1RAB9A
SCHEMBL5373209 0.85 KDR (0.39) L3MBTL1KDRHSD17B10NPC1RAB9A
SCHEMBL5381351 0.84 KDR (0.40) L3MBTL1KDRHSD17B10NPC1RAB9A
SCHEMBL5385104 0.79 KDR (0.38) L3MBTL1KDRHSD17B10NPC1RAB9A
SCHEMBL8268058 0.77 KDM4E (0.52) HSD17B10MAPK1TP53MKNK1KDM4E
SCHEMBL8257907 0.76 KDM4E (0.55) L3MBTL1HSD17B10MAPK1MKNK1KDM4E
SCHEMBL8258494 0.74 KDM4E (0.51) HSD17B10MAPK1TP53MKNK1KDM4E
SCHEMBL8257894 0.71 FLT3 (0.47) HSD17B10MAPK1MKNK1KDM4EALDH1A1

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-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 claimed
US-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 US claimed
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SINGNAL PHARMACEUTICALS, INC. 2005-05-19 US claimed
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 L3MBTL1 2642/4885SMN1; SMN2 3993/4885KDR 3444/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 L3MBTL1 3141/4885SMN1; SMN2 4475/4885KDR 2797/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT L3MBTL1 1035/4885SMN1; SMN2 4456/4885KDR 4869/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 L3MBTL1 3245/4885SMN1; SMN2 4521/4885KDR 2449/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 L3MBTL1 3141/4885SMN1; SMN2 4475/4885KDR 2797/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R L3MBTL1 3842/4885SMN1; SMN2 4048/4885KDR 63/4885

“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.