SCHEMBL4032489

SCHEMBL4032489

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 15/20 0.79
PLK1 P53350 4/20 0.79
FGFR1 P11362 3/20 0.79
FGFR3 P22607 3/20 0.79
PRKAA1 Q13131 3/20 0.79
CDC7 O00311 2/20 0.79
PLK4 O00444 2/20 0.79
CHEK1 O14757 2/20 0.79
DCLK1 O15075 2/20 0.79
PDPK1 O15530 2/20 0.79
DYRK3 O43781 2/20 0.79
JAK2 O60674 2/20 0.79
ROCK2 O75116 2/20 0.79
PRKD3 O94806 2/20 0.79
MAP4K4 O95819 2/20 0.79
PAK4 O96013 2/20 0.79
CHEK2 O96017 2/20 0.79
ABL1 P00519 2/20 0.79
NTRK1 P04629 2/20 0.79
PRKCG P05129 2/20 0.79

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 SCHEMBL3808823 0.99 PTK2 (0.78) PTK2PLK1FGFR1FGFR3PRKAA1
SCHEMBL4031710 0.89 PTK2 (0.85) PTK2PLK1FGFR1FGFR3PRKAA1
SCHEMBL4024606 0.89 PTK2 (0.85) PTK2PLK1FGFR1FGFR3PRKAA1
SCHEMBL13866468 0.89 PTK2 (0.85) PTK2PLK1FGFR1FGFR3PRKAA1
Hydrochloric Acid SCHEMBL3807034 0.89 PTK2 (0.83) PTK2PLK1FGFR1FGFR3PRKAA1
SCHEMBL3821032 0.89 PTK2 (0.62) PTK2PLK1FGFR1FGFR3PRKAA1
SCHEMBL4022429 0.89 PTK2 (1.00) PTK2PLK1FGFR1FGFR3PRKAA1
Hydrochloric Acid SCHEMBL3806767 0.89 PTK2 (0.83) PTK2PLK1FGFR1FGFR3PRKAA1
Hydrochloric Acid SCHEMBL3814733 0.89 PTK2 (0.83) PTK2PLK1FGFR1FGFR3PRKAA1
Hydrochloric Acid SCHEMBL3814469 0.88 PTK2 (0.98) PTK2PLK1FGFR1FGFR3PRKAA1

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
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-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 341/4885FGFR1 1343/4885

“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.