SCHEMBL4335958

SCHEMBL4335958

COc1c(C(=O)O)ccc2c1c(-c1ccc3ccccc3c1)nn2C(CC(N)=O)N1CCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
PIK3CG P48736 3/20 0.34
PRKDC P78527 3/20 0.34
ABCC1 P33527 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
SOS1 Q07889 1/20 0.33
HIF1A Q16665 1/20 0.33
SRC P12931 6/20 0.32
ABL1 P00519 3/20 0.32
PTGER4 P35408 1/20 0.32
RCE1 Q9Y256 1/20 0.32
HPGD P15428 2/20 0.31
ALDH1A1 P00352 2/20 0.31
RIPK2 O43353 1/20 0.31

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
SCHEMBL4335961 0.88 CSNK1E (0.33) ALDH1A1KDM4ELMNACTSAEGFR
SCHEMBL4348191 0.86 KDM4E (0.35) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL4332589 0.86 ACLY (0.33) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4341005 0.77 CSNK1E (0.34) EGFR
SCHEMBL4331815 0.77 JAK2 (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4348179 0.76 SRC (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6426342 0.76 ENPP2 (0.31)
SCHEMBL4335938 0.73 ECE1 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4334500 0.72 SRC (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4333973 0.68 PLAU (0.33) PDE4BPDE4D

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 PIK3CD 2115/4885PIK3CA 2859/4885PIK3CB 2010/4885

“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.