SCHEMBL4572197

SCHEMBL4572197

CC[C@H](C)n1nc(I)c2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.54
KDR P35968 6/20 0.54
PIK3CD O00329 5/20 0.54
ABL1 P00519 5/20 0.54
EGFR P00533 5/20 0.54
HCK P08631 5/20 0.54
PIK3CA P42336 5/20 0.54
PIK3CB P42338 5/20 0.54
MTOR P42345 5/20 0.54
PIK3CG P48736 5/20 0.54
EPHB4 P54760 5/20 0.54
PRKDC P78527 5/20 0.54
PI4KB Q9UBF8 5/20 0.54
RET P07949 5/20 0.48
ADORA2A P29274 2/20 0.48
ADORA2B P29275 2/20 0.48
ADORA1 P30542 2/20 0.48
DYRK3 O43781 2/20 0.46
CDK1 P06493 2/20 0.46
ROS1 P08922 2/20 0.46

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
SCHEMBL4572200 1.00 SRC (0.54) SRCKDRPIK3CDABL1EGFR
SCHEMBL4572199 1.00 SRC (0.54) SRCKDRPIK3CDABL1EGFR
SCHEMBL4572206 0.87 SRC (0.47) SRCKDRPIK3CDABL1EGFR
SCHEMBL4572203 0.86 SRC (0.44) SRCKDRPIK3CDABL1EGFR
SCHEMBL20725904 0.85 SRC (0.59) SRCKDRPIK3CDABL1EGFR
SCHEMBL18708680 0.85 SRC (0.59) SRCKDRPIK3CDABL1EGFR
SCHEMBL868687 0.84 ABL1 (0.58) SRCKDRPIK3CDABL1EGFR
SCHEMBL20263231 0.81 RET (0.42) SRCKDRPIK3CDABL1EGFR
SCHEMBL19775245 0.79 RET (0.52) SRCKDRPIK3CDABL1EGFR
SCHEMBL6436880 0.78 SRC (0.43) SRCKDRPIK3CDABL1EGFR

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-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SRC 241/4885KDR 1642/4885PIK3CD 2/4885

“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.