SCHEMBL5388069

SCHEMBL5388069

c1cncc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.64
MAP2K4 P45985 1/20 0.59
IDO1 P14902 1/20 0.57
LRRK2 Q5S007 1/20 0.57
PIM1 P11309 2/20 0.52
CLK3 P49761 5/20 0.52
DYRK1A Q13627 5/20 0.52
CLK2 P49760 4/20 0.52
AXL P30530 1/20 0.51
WNT1 P04628 2/20 0.50
NTRK1 P04629 1/20 0.50
PPARA Q07869 1/20 0.49
CHEK1 O14757 1/20 0.48
TTK P33981 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MAP3K5 Q99683 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
CDK7 P50613 1/20 0.46

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
SCHEMBL5377534 0.83 MKNK1 (0.60) CYP2A6LRRK2NTRK1CHEK1MKNK1
SCHEMBL5386051 0.81 GP6 (0.48) CYP2A6MAP2K4IDO1CHEK1TTK
SCHEMBL5372659 0.81 AURKA (0.58) CYP2A6MAP2K4IDO1AXLCHEK1
SCHEMBL6492572 0.80 CDK7 (0.52) LRRK2CLK3DYRK1ACLK2WNT1
SCHEMBL5374202 0.80 AURKA (0.52) CLK3DYRK1ACLK2WNT1MAP3K5
SCHEMBL2485944 0.80 CYP2A6 (1.00) CYP2A6IDO1PPARA
SCHEMBL29394988 0.80 CYP2A6 (1.00) CYP2A6IDO1PPARA
SCHEMBL5385916 0.80 RPA1 (0.61) MAP2K4IDO1CHEK1MKNK1
SCHEMBL5377877 0.80 CSNK1D (0.51) MAP2K4NTRK1CHEK1MKNK1
SCHEMBL8258328 0.79 MAP2K4 (0.59) MAP2K4IDO1LRRK2PIM1CLK3

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-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 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 CYP2A6 3167/4885MAP2K4 130/4885IDO1 1250/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 CYP2A6 1440/4885MAP2K4 71/4885IDO1 1010/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT CYP2A6 1499/4885MAP2K4 3021/4885IDO1 17/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 CYP2A6 1443/4885MAP2K4 58/4885IDO1 1138/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 CYP2A6 1440/4885MAP2K4 71/4885IDO1 1010/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R CYP2A6 3702/4885MAP2K4 385/4885IDO1 145/4885

“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.