SCHEMBL4825869

SCHEMBL4825869

COc1cc(-c2nn([C@H]3CC[C@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)c(F)cc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.57
LCK P06239 17/20 0.57
TEK Q02763 16/20 0.57
KDR P35968 7/20 0.56
BTK Q06187 1/20 0.56
PIK3CD O00329 2/20 0.54
ABL1 P00519 2/20 0.54
EGFR P00533 2/20 0.54
HCK P08631 2/20 0.54
PIK3CA P42336 2/20 0.54
PIK3CB P42338 2/20 0.54
MTOR P42345 2/20 0.54
PIK3CG P48736 2/20 0.54
EPHB4 P54760 2/20 0.54
PRKDC P78527 2/20 0.54
PI4KB Q9UBF8 2/20 0.54
LIMK1 P53667 1/20 0.52
LIMK2 P53671 1/20 0.52
FYN P06241 2/20 0.52
EIF2AK3 Q9NZJ5 1/20 0.51

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
SCHEMBL4825878 1.00 SRC (0.57) SRCLCKTEKKDRBTK
SCHEMBL7153999 0.91 SRC (0.56) SRCLCKTEKKDRBTK
SCHEMBL7154004 0.91 SRC (0.56) SRCLCKTEKKDRBTK
SCHEMBL5813018 0.87 LCK (0.64) SRCLCKTEKKDRBTK
SCHEMBL6430412 0.84 SRC (0.58) SRCLCKTEKKDRABL1
SCHEMBL6430413 0.84 SRC (0.58) SRCLCKTEKKDRABL1
SCHEMBL4826117 0.84 SRC (0.77) SRCLCKTEKKDRBTK
SCHEMBL4868667 0.84 SRC (0.77) SRCLCKTEKKDRBTK
SCHEMBL4826132 0.84 SRC (0.77) SRCLCKTEKKDRBTK
SCHEMBL7147807 0.82 LCK (0.50) SRCLCKTEKKDRABL1

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
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-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 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 (3 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN SRC 46/4885LCK 1/4885TEK 1465/4885
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 SRC 2167/4885LCK 1534/4885TEK 1218/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885LCK 1011/4885TEK 1657/4885

“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.