SCHEMBL4868667

SCHEMBL4868667

COc1cc(-c2nn([C@H]3CC[C@@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1N

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.77
KDR P35968 9/20 0.77
PIK3CD O00329 4/20 0.77
ABL1 P00519 4/20 0.77
EGFR P00533 4/20 0.77
HCK P08631 4/20 0.77
PIK3CA P42336 4/20 0.77
PIK3CB P42338 4/20 0.77
MTOR P42345 4/20 0.77
PIK3CG P48736 4/20 0.77
EPHB4 P54760 4/20 0.77
PRKDC P78527 4/20 0.77
PI4KB Q9UBF8 4/20 0.77
LCK P06239 16/20 0.72
TEK Q02763 16/20 0.72
BTK Q06187 1/20 0.67
LIMK1 P53667 1/20 0.66
LIMK2 P53671 1/20 0.66
FYN P06241 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
SCHEMBL4826117 1.00 SRC (0.77) SRCKDRPIK3CDABL1EGFR
SCHEMBL4826132 1.00 SRC (0.77) SRCKDRPIK3CDABL1EGFR
SCHEMBL5783559 0.94 SRC (0.77) SRCKDRPIK3CDABL1EGFR
SCHEMBL4827163 0.92 SRC (0.83) SRCKDRPIK3CDABL1EGFR
SCHEMBL23847546 0.87 SRC (0.78) SRCKDRPIK3CDABL1EGFR
SCHEMBL5804408 0.87 SRC (0.67) SRCKDRPIK3CDABL1EGFR
SCHEMBL4825115 0.87 SRC (0.67) SRCKDRPIK3CDABL1EGFR
SCHEMBL5801690 0.87 SRC (0.67) SRCKDRPIK3CDABL1EGFR
SCHEMBL5804409 0.87 SRC (0.67) SRCKDRPIK3CDABL1EGFR
SCHEMBL5803264 0.87 SRC (0.67) SRCKDRPIK3CDABL1EGFR

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 6 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
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US 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

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 2167/4885KDR 836/4885PIK3CD 1828/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885KDR 1166/4885PIK3CD 1497/4885

“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.