SCHEMBL5380929

SCHEMBL5380929

O=CN(c1cccnc1)c1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.43
PIM2 Q9P1W9 2/20 0.42
PIM3 Q86V86 1/20 0.42
MAP2K4 P45985 1/20 0.41
WNT1 P04628 2/20 0.40
TTK P33981 1/20 0.40
CLK3 P49761 3/20 0.40
DYRK1A Q13627 3/20 0.40
CLK2 P49760 2/20 0.40
MAP3K5 Q99683 1/20 0.39
IDO1 P14902 1/20 0.39
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL5378103 0.90 MKNK1 (0.44) PIM1MAP2K4TTKCLK3DYRK1A
SCHEMBL5376976 0.86 CSNK1D (0.41) MAP2K4WNT1TTKCLK3DYRK1A
SCHEMBL5388476 0.81 MAP3K5 (0.38) PIM1MAP2K4WNT1TTKDYRK1A
SCHEMBL5377040 0.80 MAP3K5 (0.38) PIM1MAP2K4WNT1TTKDYRK1A
SCHEMBL5372630 0.80 TTK (0.40) MAP2K4TTKMAP3K5LRRK2
SCHEMBL3947876 0.80 MAP3K5 (0.37) PIM1MAP2K4WNT1TTKDYRK1A
SCHEMBL5372930 0.79 MKNK1 (0.49) PIM1MAP2K4TTKDYRK1ACLK2
SCHEMBL5388154 0.79 MAPK8 (0.34) PIM1MAP2K4TTKDYRK1ACLK2
SCHEMBL5385856 0.79 MAP3K5 (0.37) PIM1MAP2K4WNT1TTKDYRK1A
SCHEMBL5373376 0.77 NTRK1 (0.44) PIM1PIM2PIM3MAP2K4WNT1

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-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
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP 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
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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 (5 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 PIM1 792/4885PIM2 835/4885PIM3 1167/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 PIM1 375/4885PIM2 409/4885PIM3 404/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT PIM1 699/4885PIM2 1176/4885PIM3 444/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 PIM1 375/4885PIM2 409/4885PIM3 404/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R PIM1 172/4885PIM2 251/4885PIM3 128/4885

“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.