Sugi Predict

Sugi Predict / Compounds / SCHEMBL5373418

SCHEMBL5373418

SCHEMBL5373418

CC(C)(C)CC(=O)Nc1cccc(-c2nn(C3CCC(C#N)CO3)c3ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ RORC P51449 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ECE1 P42892 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34

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
SCHEMBL5381398 0.89 IKBKB (0.41) ALDH1A1SMN1; SMN2RAB9ARORCKDM4E
SCHEMBL5377526 0.89 MAPK1 (0.41) ALDH1A1SMN1; SMN2GAARAB9ARORC
SCHEMBL5377774 0.87 MAP4K4 (0.40) ALDH1A1SMN1; SMN2GAARORCKDM4E
SCHEMBL5377708 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAARAB9AKDM4E
SCHEMBL5379530 0.81 TSHR (0.35) ALDH1A1SMN1; SMN2GAAKDM4EHPGD
SCHEMBL5377535 0.79 ACP1 (0.35) ALDH1A1HPGDMEN1KMT2ATP53
SCHEMBL5373415 0.78 KMT2A (0.40) ALDH1A1SMN1; SMN2GAARAB9ARORC
SCHEMBL5373247 0.69 ECE1 (0.38) ALDH1A1SMN1; SMN2GAARAB9AKDM4E
SCHEMBL5381611 0.69 MTOR (0.34) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL5377521 0.67 RORC (0.42) ALDH1A1SMN1; SMN2RAB9ARORCKDM4E

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 15 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
EP-1618093-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS Signal Pharmaceuticals LLC (US) 2006-01-25 — — EP 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
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 — — WO 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-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 — — WO disclosed
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2002-08-01 — — US 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 (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 ALDH1A1 2112/4885SMN1; SMN2 3993/4885GAA 2826/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ALDH1A1 2864/4885SMN1; SMN2 4475/4885GAA 2644/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT ALDH1A1 474/4885SMN1; SMN2 4456/4885GAA 1533/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ALDH1A1 2838/4885SMN1; SMN2 4521/4885GAA 2843/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ALDH1A1 2864/4885SMN1; SMN2 4475/4885GAA 2644/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R ALDH1A1 1851/4885SMN1; SMN2 4048/4885GAA 1767/4885

“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.