SCHEMBL5386544

SCHEMBL5386544

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
KDR P35968 1/20 0.38
SYK P43405 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 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
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
PLAU P00749 1/20 0.35

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
SCHEMBL5382584 0.95 SIRT2 (0.40) SIRT2SIRT1KDRSYKJAK2
SCHEMBL5379514 0.90 SIRT2 (0.41) SIRT2SIRT1KDRSYKJAK2
SCHEMBL5384828 0.81 SIRT2 (0.45) SIRT2SIRT1KDRSYKJAK2
SCHEMBL5381421 0.79 KDR (0.41) SIRT2SIRT1KDRSYKJAK2
SCHEMBL5381355 0.76 ITK (0.47) SIRT2SIRT1KDRSYKJAK2
SCHEMBL5373372 0.74 SIRT2 (0.48) SIRT2SIRT1KDRSYKJAK2
SCHEMBL7532705 0.74 NPC1 (0.42) SIRT2SIRT1KDRSYKTP53
SCHEMBL6327436 0.74 KDR (0.42) SIRT2SIRT1KDRSYKJAK2
SCHEMBL2872714 0.71 ITK (0.48) SIRT2SIRT1KDRTP53MAPT
SCHEMBL8257907 0.70 KDM4E (0.55) L3MBTL1KDM4EALDH1A1HSD17B10HPGD

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 SIRT2 1574/4885SIRT1 1300/4885KDR 3444/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 SIRT2 1946/4885SIRT1 1443/4885KDR 2797/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT SIRT2 224/4885SIRT1 149/4885KDR 4869/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 SIRT2 2000/4885SIRT1 1269/4885KDR 2449/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 SIRT2 1946/4885SIRT1 1443/4885KDR 2797/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R SIRT2 1307/4885SIRT1 762/4885KDR 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.