SCHEMBL4572206

SCHEMBL4572206

CCC(CC)n1nc(I)c2c(N)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.47
RET P07949 5/20 0.47
KDR P35968 5/20 0.47
DYRK3 O43781 2/20 0.47
CDK1 P06493 2/20 0.47
ROS1 P08922 2/20 0.47
RPS6KB1 P23443 2/20 0.47
CDK2 P24941 2/20 0.47
CSNK1A1 P48729 2/20 0.47
CSNK1D P48730 2/20 0.47
CLK2 P49760 2/20 0.47
IRAK1 P51617 2/20 0.47
CDK5 Q00535 2/20 0.47
DYRK1A Q13627 2/20 0.47
NTRK3 Q16288 2/20 0.47
SLK Q9H2G2 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
JAK2 O60674 1/20 0.47

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
SCHEMBL4572199 0.87 SRC (0.54) SRCRETKDRDYRK3CDK1
SCHEMBL4572200 0.87 SRC (0.54) SRCRETKDRDYRK3CDK1
SCHEMBL4572197 0.87 SRC (0.54) SRCRETKDRDYRK3CDK1
SCHEMBL27604421 0.86 RET (0.40) SRCRETKDRDYRK3CDK1
SCHEMBL3832435 0.85 ADK (0.49) SRCRETKDRDYRK3CDK1
SCHEMBL4572203 0.84 SRC (0.44) SRCRETKDRDYRK3CDK1
SCHEMBL868687 0.83 ABL1 (0.58) SRCRETKDRABL1HCK
SCHEMBL20263231 0.82 RET (0.42) SRCRETKDRDYRK3CDK1
SCHEMBL30104023 0.79 SRC (0.48) SRCRETKDRDYRK3CDK1
SCHEMBL29588925 0.77 RET (0.59) SRCRETKDRLCKABL1

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-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 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-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SRC 241/4885RET 652/4885KDR 1642/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A SRC 188/4885RET 341/4885KDR 3060/4885

“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.