SCHEMBL4023776

SCHEMBL4023776

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.67
PTK2 Q05397 11/20 0.64
MAPK8 P45983 4/20 0.61
ALK Q9UM73 4/20 0.61
PRKAA1 Q13131 3/20 0.61
FGFR1 P11362 3/20 0.61
FGFR3 P22607 3/20 0.61
CDC7 O00311 3/20 0.61
JAK2 O60674 3/20 0.61
ROCK2 O75116 3/20 0.61
PRKD3 O94806 3/20 0.61
MAP4K4 O95819 3/20 0.61
PAK4 O96013 3/20 0.61
PRKACA P17612 3/20 0.61
CLK2 P49760 3/20 0.61
GSK3A P49840 3/20 0.61
RPS6KA3 P51812 3/20 0.61
JAK3 P52333 3/20 0.61
DYRK1A Q13627 3/20 0.61
MELK Q14680 3/20 0.61

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 SCHEMBL3807096 0.99 ULK1 (0.66) ULK1PTK2MAPK8ALKPRKAA1
SCHEMBL23764834 0.92 MAPK8 (0.71) ULK1PTK2MAPK8ALKPRKAA1
SCHEMBL23764833 0.92 PTK2 (0.71) ULK1PTK2MAPK8ALKPRKAA1
SCHEMBL30086170 0.90 PTK2 (0.72) ULK1PTK2MAPK8ALKPRKAA1
SCHEMBL17544689 0.90 PTK2 (0.72) ULK1PTK2MAPK8ALKPRKAA1
SCHEMBL31174600 0.89 ULK1 (0.64) ULK1PTK2MAPK8ALKPRKAA1
SCHEMBL3810996 0.88 ULK1 (0.65) ULK1PTK2MAPK8ALKPRKAA1
SCHEMBL17547549 0.85 PTK2 (0.72) ULK1PTK2MAPK8ALKPRKAA1
SCHEMBL28917032 0.85 PTK2 (0.61) ULK1PTK2MAPK8ALKPRKAA1
SCHEMBL19654194 0.85 ULK1 (0.65) ULK1PTK2MAPK8ALKPRKAA1

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 6 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
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-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 ULK1 2225/4885PTK2 4551/4885MAPK8 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.