SCHEMBL4572181

SCHEMBL4572181

CC[C@@H](C)n1nc(I)c2c(N)nc(C3CC3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 16/20 0.39
PDE10A Q9Y233 1/20 0.33
SRC P12931 2/20 0.32
KDR P35968 2/20 0.32
RET P07949 2/20 0.32
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
DYRK3 O43781 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
NTRK1 P04629 1/20 0.32
INSR P06213 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CDK1 P06493 1/20 0.32
ROS1 P08922 1/20 0.32
FER P16591 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL4572207 0.80 PIK3CD (0.36) SRCKDRRETPIK3CDABL1
SCHEMBL4572205 0.80 PIK3CD (0.36) SRCKDRRETPIK3CDABL1
SCHEMBL4572202 0.75 PIK3CD (0.31) PDE8BSRCKDRPIK3CDABL1
SCHEMBL251925 0.73 KMT2A (0.40) JAK2MAPK1PIK3CDPIK3CAPIK3CB
SCHEMBL4572199 0.71 SRC (0.54) SRCKDRRETCDC7PLK4
SCHEMBL4572200 0.71 SRC (0.54) SRCKDRRETCDC7PLK4
SCHEMBL4572197 0.71 SRC (0.54) SRCKDRRETCDC7PLK4
SCHEMBL22494331 0.69 MTOR (0.50) CDK1CDK2PIK3CAMTOR
SCHEMBL22494329 0.69 MTOR (0.50) CDK1CDK2PIK3CAMTOR
SCHEMBL30381902 0.69 MTOR (0.50) CDK1CDK2PIK3CAMTOR

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 PDE8B 390/4885PDE10A 455/4885SRC 241/4885

“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.