SCHEMBL4572207

SCHEMBL4572207

CC[C@@H](C)n1nc(I)c2c(N)nc(C)nc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
RET P07949 2/20 0.32
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
ADORA1 P30542 2/20 0.31
ADORA3 P0DMS8 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
SCHEMBL4572205 1.00 PIK3CD (0.36) PIK3CDABL1EGFRHCKSRC
SCHEMBL4572202 0.81 PIK3CD (0.31) PIK3CDABL1EGFRHCKSRC
SCHEMBL4572181 0.80 PDE8B (0.39) PIK3CDABL1EGFRHCKSRC
SCHEMBL4572200 0.77 SRC (0.54) PIK3CDABL1EGFRHCKSRC
SCHEMBL4572197 0.77 SRC (0.54) PIK3CDABL1EGFRHCKSRC
SCHEMBL4572199 0.77 SRC (0.54) PIK3CDABL1EGFRHCKSRC
SCHEMBL251925 0.76 KMT2A (0.40) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL22494329 0.73 MTOR (0.50) PIK3CAMTOR
SCHEMBL22494331 0.73 MTOR (0.50) PIK3CAMTOR
SCHEMBL30381902 0.73 MTOR (0.50) PIK3CAMTOR

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-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CD 18/4885ABL1 281/4885EGFR 846/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885ABL1 353/4885EGFR 1194/4885

“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.