SCHEMBL5804580

SCHEMBL5804580

COc1cc(-c2nn(C3CCN(C4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.72
PTK6 Q13882 4/20 0.72
SRC P12931 12/20 0.72
LCK P06239 14/20 0.71
FYN P06241 3/20 0.71
TEK Q02763 9/20 0.70
KDR P35968 4/20 0.69
LIMK1 P53667 1/20 0.69
LIMK2 P53671 1/20 0.69
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
SCHEMBL4822893 0.97 SRC (0.73) ABL1PTK6SRCLCKFYN
SCHEMBL6434974 0.95 SRC (0.76) ABL1PTK6SRCLCKFYN
SCHEMBL4854954 0.95 SRC (0.76) ABL1PTK6SRCLCKFYN
SCHEMBL4854947 0.95 SRC (0.76) ABL1PTK6SRCLCKFYN
SCHEMBL5787000 0.90 LCK (0.77) SRCLCKFYNTEKKDR
SCHEMBL5819873 0.89 ABL1 (0.61) ABL1PTK6SRCLCKFYN
SCHEMBL4826465 0.87 LCK (0.74) ABL1SRCLCKFYNTEK
SCHEMBL4819139 0.87 SRC (0.64) ABL1PTK6SRCLCKFYN
SCHEMBL5812726 0.85 SRC (0.61) ABL1PTK6SRCLCKFYN
SCHEMBL23847494 0.85 LCK (0.84) ABL1SRCLCKFYNTEK

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 124/4885PTK6 1543/4885SRC 1834/4885

“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.