SCHEMBL5377854

SCHEMBL5377854

N#Cc1ccc2[nH]nc(/C=C/c3ccccc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.62
CHEK1 O14757 11/20 0.53
AURKA O14965 3/20 0.53
AURKB Q96GD4 3/20 0.53
KDR P35968 7/20 0.51
FGFR1 P11362 1/20 0.50
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 1/20 0.49
CDK2 P24941 1/20 0.49
CCND3 P30281 1/20 0.49
ITK Q08881 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
SCHEMBL5377861 1.00 TTK (0.62) TTKCHEK1AURKAAURKBKDR
SCHEMBL5508123 0.82 CHEK1 (0.61) CHEK1AURKAAURKBKDRFGFR1
SCHEMBL5508124 0.82 CHEK1 (0.61) CHEK1AURKAAURKBKDRFGFR1
SCHEMBL22099878 0.81 TTK (0.56) TTKCHEK1AURKAAURKBKDR
SCHEMBL22099877 0.81 TTK (0.56) TTKCHEK1AURKAAURKBKDR
SCHEMBL5511827 0.78 CHEK1 (0.78) CHEK1AURKAAURKBKDRFGFR1
SCHEMBL17982218 0.78 CHEK1 (0.57) CHEK1AURKAAURKBKDRFGFR1
SCHEMBL5511824 0.78 CHEK1 (0.78) CHEK1AURKAAURKBKDRFGFR1
SCHEMBL17982219 0.78 CHEK1 (0.57) CHEK1AURKAAURKBKDRFGFR1
SCHEMBL3917601 0.78 CHEK1 (0.67) CHEK1AURKAAURKBKDRFGFR1

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 10 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
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 1198/4885CHEK1 2245/4885AURKA 3307/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TTK 476/4885CHEK1 390/4885AURKA 1001/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT TTK 2139/4885CHEK1 4045/4885AURKA 2787/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TTK 464/4885CHEK1 312/4885AURKA 1049/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 TTK 476/4885CHEK1 390/4885AURKA 1001/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R TTK 714/4885CHEK1 1044/4885AURKA 1439/4885

“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.