SCHEMBL4826428

SCHEMBL4826428

COc1cc(-c2nn(C3CCNCC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.65
SRC P12931 8/20 0.65
TEK Q02763 4/20 0.65
FYN P06241 4/20 0.52
ABL1 P00519 3/20 0.52
EGFR P00533 3/20 0.52
HCK P08631 3/20 0.52
PIK3CD O00329 2/20 0.52
KDR P35968 2/20 0.52
PIK3CA P42336 2/20 0.52
PIK3CB P42338 2/20 0.52
MTOR P42345 2/20 0.52
PIK3CG P48736 2/20 0.52
EPHB4 P54760 2/20 0.52
PRKDC P78527 2/20 0.52
PI4KB Q9UBF8 2/20 0.52
PLK4 O00444 1/20 0.51
AURKA O14965 1/20 0.51
PAK4 O96013 1/20 0.51
CHEK2 O96017 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
SCHEMBL7045839 0.92 LCK (0.61) LCKSRCTEKFYNABL1
SCHEMBL6218794 0.91 LCK (0.69) LCKSRCTEKFYNABL1
SCHEMBL5823953 0.90 LCK (0.69) LCKSRCTEKFYNABL1
SCHEMBL6278841 0.90 LCK (0.69) LCKSRCTEKFYNABL1
SCHEMBL4821436 0.89 LCK (0.80) LCKSRCTEKFYNABL1
Acetic Acid SCHEMBL4828254 0.89 LCK (0.67) LCKSRCTEKFYNABL1
SCHEMBL4820493 0.88 LCK (0.68) LCKSRCTEKFYNABL1
SCHEMBL7050233 0.88 LCK (0.66) LCKSRCTEKFYNABL1
Acetic Acid SCHEMBL6245563 0.87 LCK (0.66) LCKSRCTEKFYNABL1
Acetic Acid SCHEMBL4826698 0.87 LCK (0.65) LCKSRCTEKFYNABL1

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 8 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
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 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 (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 LCK 1/4885SRC 46/4885TEK 1465/4885
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.