SCHEMBL4031710

SCHEMBL4031710

COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(=O)O)n2)cc(OC)c1OC

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 11/20 0.85
PLK1 P53350 5/20 0.85
MAPK8 P45983 4/20 0.85
GSK3B P49841 3/20 0.85
FGFR1 P11362 3/20 0.85
FGFR3 P22607 3/20 0.85
GSK3A P49840 3/20 0.85
CDC7 O00311 3/20 0.85
ALK Q9UM73 3/20 0.85
PLK4 O00444 2/20 0.85
CHEK1 O14757 2/20 0.85
DCLK1 O15075 2/20 0.85
PDPK1 O15530 2/20 0.85
DYRK3 O43781 2/20 0.85
JAK2 O60674 2/20 0.85
ROCK2 O75116 2/20 0.85
PRKD3 O94806 2/20 0.85
MAP4K4 O95819 2/20 0.85
PAK4 O96013 2/20 0.85
CHEK2 O96017 2/20 0.85

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
Hydrochloric Acid SCHEMBL3814733 0.99 PTK2 (0.83) PTK2PLK1MAPK8GSK3BFGFR1
SCHEMBL13866468 0.93 PTK2 (0.85) PTK2PLK1MAPK8GSK3BFGFR1
SCHEMBL4024606 0.93 PTK2 (0.85) PTK2PLK1MAPK8GSK3BFGFR1
Hydrochloric Acid SCHEMBL3807034 0.92 PTK2 (0.83) PTK2PLK1MAPK8GSK3BFGFR1
SCHEMBL4022429 0.92 PTK2 (1.00) PTK2PLK1MAPK8GSK3BFGFR1
Hydrochloric Acid SCHEMBL3806767 0.92 PTK2 (0.83) PTK2PLK1MAPK8GSK3BFGFR1
Hydrochloric Acid SCHEMBL3814469 0.91 PTK2 (0.98) PTK2PLK1MAPK8GSK3BFGFR1
SCHEMBL13809949 0.90 PTK2 (0.70) PTK2PLK1MAPK8GSK3BFGFR1
SCHEMBL4032489 0.89 PTK2 (0.79) PTK2PLK1MAPK8GSK3BFGFR1
SCHEMBL13866470 0.89 PTK2 (0.71) PTK2PLK1MAPK8GSK3BFGFR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597251-B1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-10 EP claimed
US-7514446-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-7514446-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-20070010668-A1 Pyrimidine compounds NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-01-11 US disclosed
US-20070010668-A1 Pyrimidine compounds NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-01-11 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 (1 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-20070010668-A1 Pyrimidine compounds TYMS, TYMP, DPYD PTK2 4551/4885PLK1 341/4885MAPK8 3281/4885

“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.