SCHEMBL4822893

SCHEMBL4822893

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

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.73
ABL1 P00519 7/20 0.73
LCK P06239 13/20 0.70
PTK6 Q13882 5/20 0.70
KDR P35968 4/20 0.69
PIK3CD O00329 1/20 0.69
EGFR P00533 1/20 0.69
PIK3CA P42336 1/20 0.69
PIK3CG P48736 1/20 0.69
BACE1 P56817 1/20 0.69
PRKDC P78527 1/20 0.69
PI4KB Q9UBF8 1/20 0.69
TEK Q02763 9/20 0.67
LIMK1 P53667 1/20 0.67
LIMK2 P53671 1/20 0.67
FYN P06241 3/20 0.66

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
SCHEMBL5804580 0.97 ABL1 (0.72) SRCABL1LCKPTK6KDR
SCHEMBL4854947 0.94 SRC (0.76) SRCABL1LCKPTK6KDR
SCHEMBL6434974 0.94 SRC (0.76) SRCABL1LCKPTK6KDR
SCHEMBL4854954 0.94 SRC (0.76) SRCABL1LCKPTK6KDR
SCHEMBL4826465 0.89 LCK (0.74) SRCABL1LCKKDRPIK3CD
SCHEMBL5812726 0.88 SRC (0.61) SRCABL1LCKPTK6KDR
SCHEMBL5787000 0.86 LCK (0.77) SRCLCKKDRTEKLIMK1
SCHEMBL5823664 0.86 LCK (0.71) SRCABL1LCKPTK6KDR
SCHEMBL6430517 0.86 ABL1 (0.64) SRCABL1LCKPTK6KDR
SCHEMBL5819873 0.85 ABL1 (0.61) SRCABL1LCKPTK6KDR

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 12 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-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
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 2167/4885ABL1 205/4885LCK 1534/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885ABL1 124/4885LCK 1011/4885

“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.