SCHEMBL4333049

SCHEMBL4333049

O=C(Nc1ccc2[nH]nc(-c3cccc(F)c3)c2c1Br)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.56
GSK3A P49840 3/20 0.56
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
CLK2 P49760 2/20 0.46
WNT1 P04628 3/20 0.44
DYRK1A Q13627 2/20 0.43
AAK1 Q2M2I8 5/20 0.42
GAK O14976 1/20 0.42
STK16 O75716 1/20 0.42
BMP2K Q9NSY1 1/20 0.42
PIK3CD O00329 2/20 0.41
PIM1 P11309 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CG P48736 2/20 0.41
PIK3CB P42338 1/20 0.41
CDKL2 Q92772 1/20 0.41

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
SCHEMBL13198274 0.90 GSK3B (0.56) GSK3BGSK3AADORA3ADORA2AADORA2B
SCHEMBL4338883 0.90 GSK3B (0.58) GSK3BGSK3AADORA3ADORA2AADORA2B
SCHEMBL4327628 0.85 GSK3B (0.53) GSK3BGSK3AADORA3ADORA2AADORA2B
SCHEMBL4333014 0.80 GSK3B (0.65) GSK3BGSK3AADORA3ADORA2AADORA2B
SCHEMBL14075007 0.78 ADORA3 (0.60) GSK3BGSK3AADORA3ADORA2AADORA2B
SCHEMBL13198259 0.77 GSK3B (0.60) GSK3BGSK3AADORA3ADORA2AADORA2B
SCHEMBL4328003 0.76 CLK2 (0.44) CLK2WNT1DYRK1A
SCHEMBL4341112 0.76 MEN1 (0.44) GSK3BGSK3AADORA3ADORA2AADORA2B
SCHEMBL4336504 0.76 MEN1 (0.44) GSK3BGSK3AADORA3ADORA2AADORA2B
SCHEMBL4336796 0.76 GSK3B (0.49) GSK3BGSK3APIK3CDPIM1PIK3CA

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 GSK3B 991/4885GSK3A 1159/4885ADORA3 1577/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 GSK3B 991/4885GSK3A 1159/4885ADORA3 1577/4885

“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.