SCHEMBL6436880

SCHEMBL6436880

CCOC(=O)C(C)n1nc(I)c2c(N)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.43
KDR P35968 6/20 0.43
RET P07949 4/20 0.43
LCK P06239 3/20 0.43
DYRK3 O43781 2/20 0.43
CDK1 P06493 2/20 0.43
ROS1 P08922 2/20 0.43
RPS6KB1 P23443 2/20 0.43
CDK2 P24941 2/20 0.43
CSNK1A1 P48729 2/20 0.43
CSNK1D P48730 2/20 0.43
CLK2 P49760 2/20 0.43
IRAK1 P51617 2/20 0.43
CDK5 Q00535 2/20 0.43
DYRK1A Q13627 2/20 0.43
NTRK3 Q16288 2/20 0.43
SLK Q9H2G2 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43

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
SCHEMBL15956509 0.83 SRC (0.47) SRCKDRRETLCKDYRK3
SCHEMBL4572197 0.78 SRC (0.54) SRCKDRRETLCKDYRK3
SCHEMBL4572199 0.78 SRC (0.54) SRCKDRRETLCKDYRK3
SCHEMBL868687 0.77 ABL1 (0.58) SRCKDRRETABL1HCK
SCHEMBL5804167 0.77 SRC (0.49) SRCKDRRETLCKDYRK3
SCHEMBL4572206 0.76 SRC (0.47) SRCKDRRETLCKDYRK3
SCHEMBL7698237 0.76 SRC (0.48) SRCKDRRETLCKDYRK3
SCHEMBL4572203 0.76 SRC (0.44) SRCKDRRETLCKDYRK3
SCHEMBL7698239 0.75 SRC (0.48) SRCKDRRETLCKDYRK3
SCHEMBL7903995 0.73 MTOR (0.71) SRCKDRRETCSNK1A1CSNK1D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 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 (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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885KDR 1166/4885RET 578/4885

“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.