SCHEMBL6452849

SCHEMBL6452849

COc1cc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)CCc1ccc(F)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.87
SRC P12931 15/20 0.87
TEK Q02763 14/20 0.87
KDR P35968 3/20 0.70
LIMK1 P53667 2/20 0.70
LIMK2 P53671 1/20 0.70
FYN P06241 3/20 0.65
PLK4 O00444 1/20 0.58
AURKA O14965 1/20 0.58
PAK4 O96013 1/20 0.58
CHEK2 O96017 1/20 0.58
ABL1 P00519 1/20 0.58
EGFR P00533 1/20 0.58
ERBB2 P04626 1/20 0.58
NTRK1 P04629 1/20 0.58
INSR P06213 1/20 0.58
CSF1R P07333 1/20 0.58
LYN P07948 1/20 0.58
HCK P08631 1/20 0.58
FGR P09769 1/20 0.58

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
SCHEMBL6431817 0.94 LCK (0.88) LCKSRCTEKKDRLIMK1
SCHEMBL6433870 0.94 LCK (0.88) LCKSRCTEKKDRLIMK1
SCHEMBL6463891 0.93 LCK (0.83) LCKSRCTEKKDRLIMK1
SCHEMBL6434020 0.93 LCK (1.00) LCKSRCTEKKDRLIMK1
SCHEMBL4824701 0.93 LCK (1.00) LCKSRCTEKKDRLIMK1
SCHEMBL4824706 0.93 LCK (1.00) LCKSRCTEKKDRLIMK1
SCHEMBL6431746 0.90 LCK (0.86) LCKSRCTEKKDRLIMK1
SCHEMBL6430696 0.89 LCK (0.87) LCKSRCTEKKDRLIMK1
SCHEMBL6430623 0.89 LCK (0.92) LCKSRCTEKKDRLIMK1
SCHEMBL6446036 0.86 LCK (0.78) LCKSRCTEKKDRLIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389215-B1 3-ARYL-SUBSTITUTED CYCLOPENTADIENYL METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2005-06-15 EP claimed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN LCK 1/4885SRC 46/4885TEK 1465/4885

“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.