SCHEMBL5823902

SCHEMBL5823902

COc1cc(-c2nn(CC3(O)CCN(C(=O)OC(C)(C)C)CC3)c3ncnc(N)c23)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.54
SRC P12931 8/20 0.54
TGFBR1 P36897 2/20 0.53
PTK6 Q13882 6/20 0.52
HCK P08631 5/20 0.51
FYN P06241 1/20 0.51
PIK3CD O00329 5/20 0.49
EGFR P00533 5/20 0.49
KDR P35968 5/20 0.49
PIK3CA P42336 5/20 0.49
PIK3CG P48736 5/20 0.49
PRKDC P78527 5/20 0.49
PI4KB Q9UBF8 5/20 0.49
PIK3CB P42338 4/20 0.49
MTOR P42345 4/20 0.49
EPHB4 P54760 4/20 0.49
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR3 P22607 1/20 0.48
BACE1 P56817 1/20 0.48

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
SCHEMBL7138358 0.90 ABL1 (0.52) ABL1SRCPTK6HCKFYN
SCHEMBL5823904 0.88 CFTR (0.45) ABL1SRCTGFBR1PTK6HCK
SCHEMBL5801455 0.84 SRC (0.59) ABL1SRCTGFBR1PTK6HCK
SCHEMBL5802027 0.84 SRC (0.54) ABL1SRCTGFBR1PTK6HCK
SCHEMBL4823038 0.81 KDR (0.70) ABL1SRCTGFBR1HCKPIK3CD
SCHEMBL5804101 0.80 TGFBR1 (0.44) ABL1SRCTGFBR1PTK6HCK
SCHEMBL7133248 0.75 SRC (0.63) ABL1SRCPTK6HCKFYN
SCHEMBL7142801 0.74 SRC (0.51) ABL1SRCPTK6HCKFYN
SCHEMBL5800914 0.72 BTK (0.60) ABL1SRCPTK6HCKFYN
SCHEMBL6220508 0.72 SRC (0.51) ABL1SRCTGFBR1PTK6HCK

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
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 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
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
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 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 (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 ABL1 124/4885SRC 1834/4885TGFBR1 3604/4885

“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.