SCHEMBL2868413

SCHEMBL2868413

COc1cccc(-c2n[nH]c3ccc(C#N)cc23)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.58
TTK P33981 1/20 0.54
ITK Q08881 1/20 0.51
GAA P10253 1/20 0.48
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL4080247 0.86 LRRK2 (0.52) LRRK2TTKITK
SCHEMBL5385898 0.85 LRRK2 (0.59) LRRK2TTKITK
SCHEMBL5372869 0.81 LRRK2 (0.47) LRRK2TTKITK
SCHEMBL2859279 0.81 ITK (0.64) LRRK2TTKITKGAAHPGD
SCHEMBL5375244 0.81 LRRK2 (0.54) LRRK2ITK
SCHEMBL2864778 0.80 ITK (0.54) LRRK2ITK
SCHEMBL2860003 0.80 ITK (0.54) LRRK2ITKADORA2AADORA2BADORA1
SCHEMBL29644121 0.80 TTK (0.60) LRRK2TTKITKGAAADORA2A
SCHEMBL15622271 0.79 AURKA (0.60) LRRK2TTKITKGAAHPGD
SCHEMBL5516414 0.79 MKNK1 (0.62) TTKITKGAAHPGD

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-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
CN-1300116-C 1H-indazole compounds EISAI CO LTD (JP) 2007-02-14 CN disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 (3 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 LRRK2 282/4885TTK 1201/4885ITK 3726/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 LRRK2 817/4885TTK 1066/4885ITK 3628/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 LRRK2 282/4885TTK 1201/4885ITK 3726/4885

“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.