SCHEMBL4335967

SCHEMBL4335967

O=C(Nc1ccc2c(c(-c3cccc(F)c3)nn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1Br)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.42
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
ADORA2B P29275 1/20 0.42
GSK3B P49841 3/20 0.39
GSK3A P49840 1/20 0.39
JAK2 O60674 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
NPY5R Q15761 1/20 0.36
JAK1 P23458 1/20 0.36
MAPK14 Q16539 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC5A1 P13866 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL27536146 0.84 CSNK1E (0.34)
SCHEMBL2860785 0.80 CSNK1E (0.40) ADORA2AADORA1ADORA2BJAK2
SCHEMBL2860787 0.78 ADORA1 (0.39) ADORA2AADORA1ADORA2BRXFP1KDM4E
SCHEMBL2865256 0.75 PTGER1 (0.41) ADORA1KDM4E
SCHEMBL4333049 0.74 GSK3B (0.56) ADORA3ADORA2AADORA1ADORA2BGSK3B
SCHEMBL2862953 0.74 MGLL (0.43) ADORA1
SCHEMBL26132087 0.73 MKNK1 (0.47) GSK3BGSK3AMEN1KMT2A
SCHEMBL31243631 0.73 MKNK1 (0.47) GSK3BGSK3AMEN1KMT2A
SCHEMBL27536192 0.71 CSNK1E (0.38)
SCHEMBL2861149 0.71 ADORA1 (0.34) ADORA2AADORA1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ADORA3 1577/4885ADORA2A 3048/4885ADORA1 1820/4885

“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.