SCHEMBL5387166

SCHEMBL5387166

O=C(Nc1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.63
MAP3K5 Q99683 2/20 0.58
NTRK1 P04629 1/20 0.52
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
ITK Q08881 3/20 0.52
CLK2 P49760 3/20 0.51
CLK3 P49761 3/20 0.51
DYRK1A Q13627 3/20 0.51
TTK P33981 2/20 0.51
MAPK8 P45983 1/20 0.51
CDK7 P50613 1/20 0.50
MAP2K7 O14733 1/20 0.48
CSNK1D P48730 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL8254966 0.94 AURKA (0.56) AURKAMAP3K5NTRK1JAK2JAK1
SCHEMBL5378308 0.93 MAP3K5 (0.59) AURKAMAP3K5NTRK1ITKCLK2
SCHEMBL5379201 0.91 MAP3K5 (0.57) AURKAMAP3K5NTRK1ITKDYRK1A
SCHEMBL5382244 0.91 MAP3K5 (0.57) AURKAMAP3K5NTRK1JAK2JAK1
SCHEMBL5381762 0.91 MAP3K5 (0.60) AURKAMAP3K5NTRK1ITKCLK2
SCHEMBL5378060 0.91 AURKA (0.61) AURKAMAP3K5NTRK1ITKTTK
SCHEMBL6844212 0.91 TTK (0.53) AURKAMAP3K5TTKMAPK8MAP2K7
SCHEMBL8258052 0.91 ROCK1 (0.57) AURKANTRK1JAK2JAK1ITK
SCHEMBL5373348 0.90 DYRK1A (0.53) AURKAMAP3K5CLK2CLK3DYRK1A
SCHEMBL5378112 0.90 AURKA (0.52) AURKAMAP3K5NTRK1CLK2CLK3

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 29 patents — showing the first 20. 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-20150313881-A1 Therapeutic Methods for Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2015-11-05 US disclosed
US-8501812-B2 Therapeutic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS (US) 2013-08-06 US disclosed
US-20120208846-A1 Therapeutic Methods For Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2012-08-16 US disclosed
US-7897572-B1 Theraputic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2011-03-01 US disclosed
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 US disclosed
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 US disclosed
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-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-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-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 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-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 (7 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 AURKA 3307/4885MAP3K5 7/4885NTRK1 2396/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 AURKA 1001/4885MAP3K5 6/4885NTRK1 1692/4885
US-20150313881-A1 Therapeutic Methods for Type I Diabetes MAPK9, IAPP, RNASE1 AURKA 4517/4885MAP3K5 20/4885NTRK1 2558/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 AURKA 4517/4885MAP3K5 20/4885NTRK1 2558/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 AURKA 1049/4885MAP3K5 6/4885NTRK1 1587/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 AURKA 1001/4885MAP3K5 6/4885NTRK1 1692/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R AURKA 1439/4885MAP3K5 32/4885NTRK1 1046/4885

“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.