SCHEMBL4824987

SCHEMBL4824987

CC(C)(C)OC(=O)N1CCC(n2nc(-c3ccc(NC(=O)OCc4ccccc4)cc3)c3c(N)ncnc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.58
LCK P06239 5/20 0.58
KDR P35968 5/20 0.58
TEK Q02763 3/20 0.58
LIMK1 P53667 2/20 0.58
LIMK2 P53671 1/20 0.58
BTK Q06187 12/20 0.53
EGFR P00533 6/20 0.53
ITK Q08881 2/20 0.53
HCK P08631 2/20 0.51
LYN P07948 2/20 0.51
FRK P42685 2/20 0.51
PTK6 Q13882 2/20 0.51
FYN P06241 1/20 0.51
BLK P51451 1/20 0.51
PIK3CD O00329 1/20 0.51
ABL1 P00519 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
MTOR P42345 1/20 0.51

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
SCHEMBL6274140 0.89 SRC (0.46) SRCLCKKDRTEKLIMK1
SCHEMBL5823664 0.83 LCK (0.71) SRCLCKKDRTEKLIMK1
SCHEMBL17951556 0.83 BTK (0.73) SRCLCKKDRTEKBTK
SCHEMBL4820128 0.83 SRC (0.62) SRCLCKKDRBTKEGFR
SCHEMBL13308583 0.81 EGFR (0.69) SRCLCKBTKEGFRITK
SCHEMBL16194714 0.81 BTK (0.63) SRCLCKKDRBTKEGFR
SCHEMBL5804800 0.81 KDR (0.52) SRCLCKKDRTEKLIMK1
SCHEMBL22720690 0.80 BTK (0.69) SRCLCKKDRTEKBTK
SCHEMBL5801559 0.80 BTK (0.69) SRCLCKKDRTEKBTK
SCHEMBL22720717 0.80 BTK (0.69) SRCLCKKDRTEKBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 US disclosed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 US disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 WO 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-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 SRC 2167/4885LCK 1534/4885KDR 836/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885LCK 1011/4885KDR 1166/4885

“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.