SCHEMBL4821450

SCHEMBL4821450

COc1cc(-c2nn(C3CCC(O)(CC#N)CC3)c3ncnc(N)c23)ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.57
SRC P12931 13/20 0.57
TEK Q02763 11/20 0.57
KDR P35968 3/20 0.55
LIMK1 P53667 2/20 0.55
LIMK2 P53671 1/20 0.55
EGFR P00533 3/20 0.50
FYN P06241 2/20 0.50
PLK4 O00444 1/20 0.48
AURKA O14965 1/20 0.48
PAK4 O96013 1/20 0.48
CHEK2 O96017 1/20 0.48
ABL1 P00519 1/20 0.48
ERBB2 P04626 1/20 0.48
NTRK1 P04629 1/20 0.48
INSR P06213 1/20 0.48
CSF1R P07333 1/20 0.48
LYN P07948 1/20 0.48
HCK P08631 1/20 0.48
FGR P09769 1/20 0.48

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
SCHEMBL4821454 1.00 LCK (0.57) LCKSRCTEKKDRLIMK1
SCHEMBL4824130 0.92 LCK (0.59) LCKSRCTEKKDRLIMK1
SCHEMBL4824137 0.92 LCK (0.59) LCKSRCTEKKDRLIMK1
Acetic Acid SCHEMBL6433582 0.91 LCK (0.58) LCKSRCTEKKDRLIMK1
Acetic Acid SCHEMBL4822823 0.90 LCK (0.57) LCKSRCTEKKDRLIMK1
Acetic Acid SCHEMBL4823804 0.89 LCK (0.56) LCKSRCTEKKDRLIMK1
Acetic Acid SCHEMBL4823800 0.89 LCK (0.56) LCKSRCTEKKDRLIMK1
SCHEMBL4827213 0.89 LCK (0.59) LCKSRCTEKKDRLIMK1
SCHEMBL4827216 0.89 LCK (0.59) LCKSRCTEKKDRLIMK1
SCHEMBL6430405 0.89 LCK (0.59) LCKSRCTEKKDRLIMK1

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 4 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-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 LCK 1534/4885SRC 2167/4885TEK 1218/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 LCK 1011/4885SRC 1834/4885TEK 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.