SCHEMBL4335337

SCHEMBL4335337

O=C(Nc1cc(F)c2[nH]nc(-c3ccc4ccccc4c3)c2c1)C1CCOC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.52
ABL1 P00519 6/20 0.45
ULK1 O75385 1/20 0.42
MAP4K4 O95819 1/20 0.42
MAPK14 Q16539 3/20 0.41
PIP5K1C O60331 2/20 0.41
PIK3CA P42336 2/20 0.41
MAPK8 P45983 2/20 0.41
PIP5K1B O14986 1/20 0.41
PIP5K1A Q99755 1/20 0.41
ITK Q08881 2/20 0.41
EGLN2 Q96KS0 1/20 0.41
GSK3B P49841 1/20 0.40
SHMT2 P34897 1/20 0.38
NPY2R P49146 1/20 0.38

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
SCHEMBL4338506 0.90 GSK3B (0.50) ABL1MAPK14ITKGSK3B
SCHEMBL4345565 0.87 MAPK10 (0.47) MAPK10ULK1MAP4K4MAPK14PIP5K1C
SCHEMBL4336464 0.84 ADORA3 (0.47) ABL1MAP4K4
SCHEMBL4333966 0.80 MEN1 (0.46) ABL1GSK3B
SCHEMBL4331235 0.80 MEN1 (0.46) ABL1GSK3B
SCHEMBL2867285 0.79 ITK (0.45) MAP4K4MAPK8ITKGSK3B
SCHEMBL4332106 0.79 MAPK10 (0.47) MAPK10ABL1MAP4K4MAPK14PIP5K1C
SCHEMBL2860243 0.73 TTK (0.50) SHMT2
SCHEMBL2871320 0.72 PDPK1 (0.66) MAPK10ULK1MAPK14ITKGSK3B
SCHEMBL2870995 0.72 MCHR1 (0.47) MAPK10MAPK14MAPK8

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 6 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-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-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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 (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 MAPK10 29/4885ABL1 92/4885ULK1 893/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK10 29/4885ABL1 92/4885ULK1 893/4885

“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.