Sugi Predict

Sugi Predict / Compounds / SCHEMBL5381691

SCHEMBL5381691

SCHEMBL5381691

CN(C)Cc1nc(-c2ccc3c(c2)c(-c2ccc4c(c2)OCO4)nn3C2CCCCO2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.41
▸ CSNK1D P48730 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ MERTK Q12866 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MAP2K4 P45985 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ MAPKAPK3 Q16644 1/20 0.33
▸ MAPK6 Q16659 1/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ USP2 O75604 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL5385701 0.86 ADORA2A (0.39) ADORA2ACSNK1DKMT2ARXRARXRB
SCHEMBL5397364 0.82 CSNK1D (0.38) ADORA2ACSNK1DRXRARXRBRXRG
SCHEMBL5375455 0.78 CSNK1D (0.43) ADORA2ACSNK1DRXRARXRBRXRG
SCHEMBL5372762 0.77 CSNK1D (0.44) CSNK1DKMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL5372740 0.76 KDM1A (0.43) ADORA2AKMT2AALDH1A1GAAUSP2
SCHEMBL8253032 0.76 MAP2K4 (0.58) ADORA2ACSNK1DKMT2AMAPK1MAP2K4
SCHEMBL5650325 0.73 ALDH1A1 (0.35) ADORA2AKMT2ARXRARXRBRXRG
SCHEMBL5377590 0.72 ALDH1A1 (0.34) ADORA2AKMT2AALDH1A1CLK4POLB
SCHEMBL5386476 0.68 SIRT2 (0.34) KMT2ARXRARXRBRXRGALDH1A1
SCHEMBL6501666 0.67 CPT1A (0.36) RXRARXRBRXRG

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-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
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

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 ADORA2A 2524/4885CSNK1D 349/4885KMT2A 2900/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ADORA2A 3448/4885CSNK1D 164/4885KMT2A 3274/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT ADORA2A 1854/4885CSNK1D 1173/4885KMT2A 447/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ADORA2A 3576/4885CSNK1D 245/4885KMT2A 3315/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ADORA2A 3448/4885CSNK1D 164/4885KMT2A 3274/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R ADORA2A 2097/4885CSNK1D 410/4885KMT2A 3492/4885

“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.