SCHEMBL4345565

SCHEMBL4345565

O=C(Nc1cc(F)c2[nH]nc(-c3cccc(F)c3)c2c1)C1CCOC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
MAP4K4 O95819 2/20 0.45
DYRK1A Q13627 1/20 0.44
PIP5K1C O60331 5/20 0.43
PIK3CA P42336 5/20 0.43
MAPK8 P45983 2/20 0.43
MAPK14 Q16539 2/20 0.43
PIP5K1B O14986 1/20 0.41
PIP5K1A Q99755 1/20 0.41
WNT1 P04628 3/20 0.40
EGLN2 Q96KS0 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
ULK1 O75385 1/20 0.40
CLK2 P49760 1/20 0.39

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
SCHEMBL4332106 0.92 MAPK10 (0.47) MAPK10GSK3AGSK3BMAP4K4DYRK1A
SCHEMBL4335337 0.87 MAPK10 (0.52) MAPK10GSK3BMAP4K4PIP5K1CPIK3CA
SCHEMBL4343139 0.83 POLB (0.49) MAP4K4ADORA3ADORA2AADORA1
SCHEMBL4341417 0.80 GSK3A (0.55) GSK3AGSK3BDYRK1AWNT1ADORA3
SCHEMBL4341168 0.79 HPGDS (0.44) GSK3AGSK3BWNT1
SCHEMBL4341030 0.79 HPGDS (0.44) GSK3AGSK3BWNT1
SCHEMBL2863255 0.78 TTK (0.47) GSK3AGSK3BMAPK8ADORA3ADORA2A
SCHEMBL21923085 0.76 PIP5K1C (0.54) MAPK10MAP4K4PIP5K1CPIK3CAMAPK8
SCHEMBL4338506 0.75 GSK3B (0.50) GSK3AGSK3BMAPK14WNT1
SCHEMBL4338783 0.75 KDM4E (0.51) MAP4K4ADORA3ADORA2AADORA1

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 29/4885GSK3A 1159/4885GSK3B 991/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK10 29/4885GSK3A 1159/4885GSK3B 991/4885

“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.