SCHEMBL4854947

SCHEMBL4854947

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

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.76
LCK P06239 14/20 0.76
TEK Q02763 13/20 0.76
KDR P35968 4/20 0.76
LIMK1 P53667 1/20 0.76
LIMK2 P53671 1/20 0.76
ABL1 P00519 6/20 0.71
FYN P06241 3/20 0.71
PTK6 Q13882 4/20 0.70
PIK3CD O00329 1/20 0.65
EGFR P00533 1/20 0.65
PIK3CA P42336 1/20 0.65
PIK3CG P48736 1/20 0.65
BACE1 P56817 1/20 0.65
PRKDC P78527 1/20 0.65
PI4KB Q9UBF8 1/20 0.65

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
SCHEMBL4854954 1.00 SRC (0.76) SRCLCKTEKKDRLIMK1
SCHEMBL6434974 1.00 SRC (0.76) SRCLCKTEKKDRLIMK1
SCHEMBL5804580 0.95 ABL1 (0.72) SRCLCKTEKKDRLIMK1
SCHEMBL4822893 0.94 SRC (0.73) SRCLCKTEKKDRLIMK1
SCHEMBL4819139 0.91 SRC (0.64) SRCLCKTEKKDRLIMK1
SCHEMBL23847494 0.90 LCK (0.84) SRCLCKTEKKDRLIMK1
SCHEMBL4847861 0.90 LCK (0.84) SRCLCKTEKKDRLIMK1
SCHEMBL7152942 0.89 SRC (0.60) SRCLCKTEKKDRLIMK1
SCHEMBL5812440 0.88 LCK (0.80) SRCLCKTEKKDRLIMK1
SCHEMBL5786214 0.88 SRC (0.68) SRCLCKTEKKDRLIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7400979-B2 Kinase inhibitors; genetic engineering ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
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
US-20030175935-A1 Method of identifying inhibitors of Lck ABBVIE INC. 2003-09-18 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
WO-2003020880-A2 METHOD OF IDENTIFYING INHIBITORS OF LCK ABBOTT LABORATORIES (US) 2003-03-13 WO 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 (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-20030175935-A1 Method of identifying inhibitors of Lck LCK, FYN, ZAP70 SRC 13/4885LCK 1/4885TEK 1629/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885LCK 1011/4885TEK 1657/4885

“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.