SCHEMBL4828050

SCHEMBL4828050

COc1cc(-c2nn(C3CCN(C(=O)O)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.87
FYN P06241 3/20 0.83
SRC P12931 7/20 0.61
TEK Q02763 5/20 0.61
BTK Q06187 2/20 0.60
KDR P35968 2/20 0.55
PLK4 O00444 1/20 0.54
AURKA O14965 1/20 0.54
PAK4 O96013 1/20 0.54
CHEK2 O96017 1/20 0.54
ABL1 P00519 1/20 0.54
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
NTRK1 P04629 1/20 0.54
INSR P06213 1/20 0.54
CSF1R P07333 1/20 0.54
LYN P07948 1/20 0.54
HCK P08631 1/20 0.54
FGR P09769 1/20 0.54
FLT1 P17948 1/20 0.54

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
SCHEMBL6433613 0.93 LCK (1.00) LCKFYNSRCTEKBTK
SCHEMBL14268436 0.92 LCK (1.00) LCKFYNSRCTEKBTK
SCHEMBL6433008 0.91 LCK (0.86) LCKFYNSRCTEKBTK
SCHEMBL6430928 0.91 LCK (0.86) LCKFYNSRCTEKBTK
SCHEMBL4822211 0.91 LCK (0.94) LCKFYNSRCTEKBTK
SCHEMBL4826535 0.91 LCK (1.00) LCKFYNSRCTEKBTK
SCHEMBL4822226 0.91 LCK (0.86) LCKFYNSRCTEKBTK
Acetic Acid SCHEMBL4824731 0.91 LCK (0.96) LCKFYNSRCTEKBTK
SCHEMBL4828202 0.91 LCK (0.85) LCKFYNSRCTEKBTK
SCHEMBL14268437 0.91 LCK (1.00) LCKFYNSRCTEKKDR

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
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-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 US 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 (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 LCK 1534/4885FYN 1116/4885SRC 2167/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 LCK 1011/4885FYN 896/4885SRC 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.