SCHEMBL5378308

SCHEMBL5378308

O=C(Nc1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1)c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.59
AURKA O14965 4/20 0.55
TTK P33981 1/20 0.50
MAPK8 P45983 1/20 0.50
LRRK2 Q5S007 3/20 0.49
CLK2 P49760 3/20 0.47
CLK3 P49761 3/20 0.47
DYRK1A Q13627 3/20 0.47
KCNK3 O14649 1/20 0.46
CSNK1D P48730 1/20 0.45
MAP2K7 O14733 1/20 0.45
NTRK1 P04629 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CDK7 P50613 1/20 0.45
ITK Q08881 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL5387166 0.93 AURKA (0.63) MAP3K5AURKATTKMAPK8CLK2
SCHEMBL28517737 0.91 MAP3K5 (0.73) MAP3K5AURKATTKMAPK8LRRK2
SCHEMBL5379201 0.90 MAP3K5 (0.57) MAP3K5AURKATTKMAPK8LRRK2
SCHEMBL5381762 0.90 MAP3K5 (0.60) MAP3K5AURKATTKMAPK8CLK2
SCHEMBL5382244 0.90 MAP3K5 (0.57) MAP3K5AURKATTKMAPK8CLK2
SCHEMBL8252590 0.90 CSNK1D (0.54) MAP3K5AURKATTKMAPK8LRRK2
SCHEMBL5373348 0.89 DYRK1A (0.53) MAP3K5AURKATTKMAPK8CLK2
SCHEMBL28515624 0.89 MAP3K5 (0.60) MAP3K5AURKATTKMAPK8CSNK1D
SCHEMBL5383348 0.89 MAP3K5 (0.56) MAP3K5AURKATTKMAPK8LRRK2
SCHEMBL6844212 0.88 TTK (0.53) MAP3K5AURKATTKMAPK8MAP2K7

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 27 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-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-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-20050025795-A1 Compounds, Compositions and methods for insect control THE PROCTER & GAMBLE COMPANY (US) 2005-02-03 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 (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 MAP3K5 7/4885AURKA 3307/4885TTK 1198/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAP3K5 6/4885AURKA 1001/4885TTK 476/4885
US-20150313881-A1 Therapeutic Methods for Type I Diabetes MAPK9, IAPP, RNASE1 MAP3K5 20/4885AURKA 4517/4885TTK 354/4885
US-20050025795-A1 Compounds, Compositions and methods for insect control PWWP2B, CUTA, WAPL MAP3K5 4232/4885AURKA 3542/4885TTK 4493/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAP3K5 6/4885AURKA 1001/4885TTK 476/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R MAP3K5 32/4885AURKA 1439/4885TTK 714/4885

“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.