SCHEMBL4572201

SCHEMBL4572201

CCCn1nc(I)c2c(N)ncnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.48
SRC P12931 3/20 0.48
DYRK3 O43781 2/20 0.48
CDK1 P06493 2/20 0.48
ROS1 P08922 2/20 0.48
RPS6KB1 P23443 2/20 0.48
CDK2 P24941 2/20 0.48
CSNK1A1 P48729 2/20 0.48
CSNK1D P48730 2/20 0.48
CLK2 P49760 2/20 0.48
IRAK1 P51617 2/20 0.48
CDK5 Q00535 2/20 0.48
DYRK1A Q13627 2/20 0.48
NTRK3 Q16288 2/20 0.48
SLK Q9H2G2 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
KDR P35968 2/20 0.48
CDC7 O00311 1/20 0.48
PLK4 O00444 1/20 0.48
JAK2 O60674 1/20 0.48

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
SCHEMBL21293809 0.91 ADORA2A (0.48) RETSRCDYRK3CDK1ROS1
SCHEMBL25678087 0.90 RET (0.52) RETSRCDYRK3CDK1ROS1
SCHEMBL868744 0.87 PIK3CD (0.51) RETSRCDYRK3CDK1ROS1
SCHEMBL16701523 0.86 ADK (0.49) RETSRCDYRK3CDK1ROS1
SCHEMBL868521 0.84 DYRK3 (0.51) RETSRCDYRK3CDK1ROS1
SCHEMBL24096870 0.84 SRC (0.45) RETSRCDYRK3CDK1ROS1
SCHEMBL19283009 0.83 ADK (0.49) RETSRCDYRK3CDK1ROS1
SCHEMBL20553120 0.82 ADK (0.46) RETSRCDYRK3CDK1ROS1
SCHEMBL30404896 0.82 ADK (0.46) RETSRCDYRK3CDK1ROS1
SCHEMBL23063891 0.82 SRC (0.46) RETSRCDYRK3CDK1ROS1

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 RET 652/4885SRC 241/4885DYRK3 2039/4885

“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.