SCHEMBL9890626

SCHEMBL9890626

CC(=O)Nc1cc(-c2nc(-c3ccccc3I)c(-c3nnc[nH]3)o2)c(C)cn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 7/20 0.35
GSK3B P49841 3/20 0.33
GSK3A P49840 2/20 0.33
AURKA O14965 1/20 0.33
KDR P35968 2/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
NUDT1 P36639 2/20 0.32
ABL1 P00519 1/20 0.32
MAPK14 Q16539 1/20 0.32
ATR Q13535 1/20 0.31
MAP4K1 Q92918 1/20 0.31
CRBN Q96SW2 1/20 0.31
C1R P00736 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
SCHEMBL627198 0.91 PIK3C3 (0.39) PIK3C3ABL1MAPK14
SCHEMBL626895 0.85 PIK3C3 (0.39) PIK3C3ABL1
SCHEMBL9890040 0.84 WDR5 (0.36) GSK3B
SCHEMBL9889941 0.82 PIK3C3 (0.36) PIK3C3GSK3BGSK3AAURKANUDT1
SCHEMBL9106023 0.80 S1PR4 (0.35) PIK3C3ABL1MAPK14
SCHEMBL16167587 0.78 PIK3C3 (0.40) PIK3C3NUDT1ABL1
SCHEMBL9888752 0.78 USP2 (0.36) PIK3C3ABL1
SCHEMBL9890038 0.77 AGPAT2 (0.38) PIK3C3ABL1
SCHEMBL627636 0.76 ABL1 (0.47) ABL1
SCHEMBL9888652 0.75 PIK3C3 (0.39) PIK3C3KDRFLT1FLT4ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 PIK3C3 52/4885GSK3B 734/4885GSK3A 1541/4885

“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.