SCHEMBL2871104

SCHEMBL2871104

CC(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C4Cc5ccccc54)cc23)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTK P33981 8/20 0.48
AURKA O14965 4/20 0.48
ROCK1 Q13464 1/20 0.45
MAP2K4 P45985 2/20 0.44
PDPK1 O15530 1/20 0.44
MAPK8 P45983 1/20 0.43
ITK Q08881 3/20 0.43
MAPK1 P28482 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
MAPK6 Q16659 1/20 0.43

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
SCHEMBL2861362 0.82 ROCK1 (0.48) TTKAURKAROCK1PDPK1ITK
SCHEMBL2872522 0.76 AURKA (0.62) TTKAURKAMAP2K4ITK
SCHEMBL12282356 0.74 TTK (0.62) TTKAURKA
SCHEMBL12282547 0.74 TTK (0.62) TTKAURKA
SCHEMBL13198198 0.74 AURKA (0.57) TTKAURKAITK
SCHEMBL2867673 0.74 TTK (0.53) TTKAURKAMAP2K4MAPK8ITK
SCHEMBL13198185 0.73 PDPK1 (0.52) TTKAURKAROCK1PDPK1ITK
SCHEMBL29640072 0.73 MAP2K4 (0.76) TTKAURKAMAP2K4MAPK8MAPK1
SCHEMBL28741879 0.73 MAP2K4 (0.76) TTKAURKAMAP2K4MAPK8MAPK1
SCHEMBL2865036 0.73 PDPK1 (0.65) TTKAURKAPDPK1MAPK8ITK

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 12 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
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
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-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US 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
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 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 (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 TTK 1201/4885AURKA 502/4885ROCK1 504/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 TTK 1066/4885AURKA 779/4885ROCK1 709/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TTK 1201/4885AURKA 502/4885ROCK1 504/4885

“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.