SCHEMBL2867353

SCHEMBL2867353

COCC(=O)Nc1ccc2[nH]nc(-c3ccsc3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 6/20 0.60
LRRK2 Q5S007 2/20 0.55
KIT P10721 1/20 0.52
FLT1 P17948 1/20 0.52
KDR P35968 1/20 0.52
MAPKAPK2 P49137 1/20 0.50
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
CLK2 P49760 2/20 0.47
CLK3 P49761 2/20 0.47
DYRK1A Q13627 2/20 0.47
CYP1A2 P05177 1/20 0.46
GSK3B P49841 1/20 0.46
TTK P33981 5/20 0.46
WNT1 P04628 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK1 P28482 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
SCHEMBL5379414 0.74 ITK (0.53) ITKLRRK2MAPKAPK2CYP1A2TTK
SCHEMBL7091365 0.74 AURKA (0.65) ITKAURKAAURKBTTKMAPK8
SCHEMBL5372815 0.73 MAP2K4 (0.56) ITKMAPKAPK2AURKAAURKBTTK
SCHEMBL2447934 0.72 MET (0.64)
SCHEMBL5388114 0.71 MAP2K4 (0.56) LRRK2MAPKAPK2TTKMAPK8MAPK1
SCHEMBL5383405 0.71 TTK (0.54) ITKAURKAAURKBTTKMAPK8
SCHEMBL6501210 0.70 AURKA (0.51) ITKAURKAAURKBTTKMAPK8
SCHEMBL16310072 0.70 RAB9A (0.59) LRRK2MAPKAPK2CLK2CLK3DYRK1A
SCHEMBL5374376 0.70 MAPT (0.55) ITKAURKAAURKBTTKMAPK8
SCHEMBL24150193 0.70 AURKA (0.65) ITKLRRK2AURKAAURKBWNT1

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 13 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
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-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
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 ITK 3726/4885LRRK2 282/4885KIT 780/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ITK 3628/4885LRRK2 817/4885KIT 1467/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ITK 3726/4885LRRK2 282/4885KIT 780/4885

“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.