SCHEMBL4826071

SCHEMBL4826071

COc1cc(-c2nn(C3CCC(=O)CC3)c3ncnc(N)c23)ccc1N

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.81
▸ PIK3CD O00329 14/20 0.81
▸ SRC P12931 14/20 0.81
▸ PIK3CA P42336 13/20 0.81
▸ PIK3CB P42338 13/20 0.81
▸ PIK3CG P48736 13/20 0.81
▸ PRKDC P78527 13/20 0.81
▸ ABL1 P00519 12/20 0.81
▸ HCK P08631 12/20 0.81
▸ KDR P35968 12/20 0.81
▸ MTOR P42345 12/20 0.81
▸ EPHB4 P54760 12/20 0.81
▸ PI4KB Q9UBF8 12/20 0.81
▸ BTK Q06187 2/20 0.61
▸ ITK Q08881 1/20 0.55
▸ LCK P06239 2/20 0.53
▸ TEK Q02763 2/20 0.53

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
SCHEMBL4827163 0.87 SRC (0.83) EGFRPIK3CDSRCPIK3CAPIK3CB
SCHEMBL27604491 0.85 SRC (0.76) EGFRPIK3CDSRCPIK3CAPIK3CB
SCHEMBL5804212 0.85 PIK3CD (0.62) EGFRPIK3CDSRCPIK3CAPIK3CB
SCHEMBL5783559 0.84 SRC (0.77) EGFRPIK3CDSRCPIK3CAPIK3CB
SCHEMBL4868667 0.84 SRC (0.77) EGFRPIK3CDSRCPIK3CAPIK3CB
SCHEMBL4826117 0.84 SRC (0.77) EGFRPIK3CDSRCPIK3CAPIK3CB
SCHEMBL4826132 0.84 SRC (0.77) EGFRPIK3CDSRCPIK3CAPIK3CB
SCHEMBL27586616 0.83 PIK3CD (0.58) EGFRPIK3CDSRCPIK3CAPIK3CB
SCHEMBL16655765 0.83 PIK3CD (0.79) EGFRPIK3CDSRCPIK3CAPIK3CB
SCHEMBL3603658 0.83 PIK3CD (1.00) EGFRPIK3CDSRCPIK3CAPIK3CB

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 EGFR 1992/4885PIK3CD 1828/4885SRC 2167/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 EGFR 2229/4885PIK3CD 1497/4885SRC 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.

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