SCHEMBL4341007

SCHEMBL4341007

CCN(CCO)C(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.46
TTK P33981 3/20 0.46
NTRK1 P04629 1/20 0.45
MAP2K4 P45985 3/20 0.43
MAPK8 P45983 1/20 0.43
GNRHR P30968 1/20 0.43
FYN P06241 1/20 0.42
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
TLR9 Q9NR96 2/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
CSNK1D P48730 2/20 0.40
LRRK2 Q5S007 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2858476 0.78 MAP2K4 (0.68) ITKTTKNTRK1MAP2K4MAPK3
SCHEMBL19785181 0.77 HPGD (0.54) ALDH1A1HPGD
SCHEMBL5801740 0.77 MAP2K4 (0.65) TTKNTRK1MAP2K4MAPK8FYN
SCHEMBL2860913 0.76 MAP2K4 (0.61) TTKNTRK1MAP2K4MAPK8MAPK3
Ethylene SCHEMBL27536148 0.76 MAP2K4 (0.65) ITKTTKNTRK1MAP2K4MAPK3
SCHEMBL2869247 0.75 MAPK1 (0.54) TTKNTRK1MAPK3MAPK1CSNK1D
SCHEMBL2861578 0.75 MAPK1 (0.54) TTKNTRK1MAPK3MAPK1CSNK1D
SCHEMBL2869817 0.74 MAP2K4 (0.54) TTKNTRK1MAP2K4MAPK3MAPK1
SCHEMBL2868599 0.74 MAP2K4 (0.57) TTKMAP2K4MAPK8CLK2DYRK1A
SCHEMBL2859833 0.73 MAPK1 (0.54) MAPK3MAPK1CSNK1D

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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 3726/4885TTK 1201/4885NTRK1 1241/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ITK 3726/4885TTK 1201/4885NTRK1 1241/4885

“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.