SCHEMBL5383843

SCHEMBL5383843

O=C(Cc1ccccc1)Nc1ccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.55
▸ ROCK2 O75116 2/20 0.53
▸ ROCK1 Q13464 2/20 0.53
▸ WNT1 P04628 4/20 0.52
▸ CLK2 P49760 3/20 0.51
▸ CLK3 P49761 3/20 0.51
▸ DYRK1A Q13627 3/20 0.51
▸ AURKA O14965 1/20 0.51
▸ CDK2 P24941 1/20 0.49
▸ MAPK8 P45983 1/20 0.48
▸ NAMPT P43490 2/20 0.47
▸ TGFBR1 P36897 1/20 0.47
▸ MAPK3 P27361 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ WNT3A P56704 1/20 0.45

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
SCHEMBL5379531 0.91 TTK (0.60) TTKROCK2ROCK1WNT1CLK2
SCHEMBL5372974 0.91 WNT1 (0.49) TTKROCK2ROCK1WNT1CLK2
SCHEMBL6503337 0.85 TTK (0.48) TTKROCK2WNT1CLK2CLK3
SCHEMBL8258052 0.85 ROCK1 (0.57) TTKROCK2ROCK1CLK2CLK3
SCHEMBL5379414 0.85 ITK (0.53) TTKROCK1MAPK8MAPK1
SCHEMBL8252322 0.83 TTK (0.51) TTKROCK2ROCK1WNT1CLK2
SCHEMBL5373186 0.83 ITK (0.52) TTKROCK2ROCK1WNT1CLK2
SCHEMBL8256286 0.82 ITK (0.53) TTKMAPK8
SCHEMBL8260275 0.82 TTK (0.61) TTKAURKAMAPK8MAPK1
SCHEMBL14514472 0.80 MKNK1 (0.60) TTKROCK2CLK2DYRK1ACDK2

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 TTK 1198/4885ROCK2 143/4885ROCK1 112/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TTK 476/4885ROCK2 183/4885ROCK1 157/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT TTK 2139/4885ROCK2 1534/4885ROCK1 1287/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TTK 464/4885ROCK2 244/4885ROCK1 210/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TTK 476/4885ROCK2 183/4885ROCK1 157/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R TTK 714/4885ROCK2 301/4885ROCK1 210/4885

“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.

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