SCHEMBL3821032

SCHEMBL3821032

COc1cc(Nc2ncc(C(C)=O)c(Nc3ccccc3C(=O)NC(C)(C)C)n2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 14/20 0.62
MAPK9 P45984 4/20 0.62
FGFR1 P11362 3/20 0.62
FGFR3 P22607 3/20 0.62
MAPK8 P45983 3/20 0.62
PRKAA1 Q13131 3/20 0.62
INSR P06213 3/20 0.62
IGF1R P08069 3/20 0.62
ALK Q9UM73 3/20 0.62
CDC7 O00311 2/20 0.62
PLK4 O00444 2/20 0.62
CHEK1 O14757 2/20 0.62
DCLK1 O15075 2/20 0.62
PDPK1 O15530 2/20 0.62
DYRK3 O43781 2/20 0.62
JAK2 O60674 2/20 0.62
ROCK2 O75116 2/20 0.62
PRKD3 O94806 2/20 0.62
MAP4K4 O95819 2/20 0.62
PAK4 O96013 2/20 0.62

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
SCHEMBL3810996 0.91 ULK1 (0.65) PTK2MAPK9FGFR1FGFR3MAPK8
SCHEMBL4032489 0.89 PTK2 (0.79) PTK2MAPK9FGFR1FGFR3MAPK8
Hydrochloric Acid SCHEMBL3808823 0.88 PTK2 (0.78) PTK2MAPK9FGFR1FGFR3MAPK8
SCHEMBL13872979 0.88 PTK2 (0.58) PTK2MAPK9FGFR1FGFR3MAPK8
SCHEMBL4023776 0.84 ULK1 (0.67) PTK2MAPK9FGFR1FGFR3MAPK8
Hydrochloric Acid SCHEMBL3807096 0.83 ULK1 (0.66) PTK2MAPK9FGFR1FGFR3MAPK8
SCHEMBL4024606 0.83 PTK2 (0.85) PTK2MAPK9FGFR1FGFR3MAPK8
Hydrochloric Acid SCHEMBL3806767 0.82 PTK2 (0.83) PTK2MAPK9FGFR1FGFR3MAPK8
SCHEMBL30086170 0.80 PTK2 (0.72) PTK2MAPK9FGFR1FGFR3MAPK8
SCHEMBL17544689 0.80 PTK2 (0.72) PTK2MAPK9FGFR1FGFR3MAPK8

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 10 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 claimed
US-20070010668-A1 Pyrimidine compounds NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-01-11 US claimed
EP-1597251-B1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-10 EP disclosed
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-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
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 4551/4885MAPK9 1837/4885FGFR1 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.