SCHEMBL3864679

SCHEMBL3864679

C#CCOc1nc(Nc2cc(N)cc(C(=O)OC)c2)ncc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.39
CDK1 P06493 6/20 0.39
CDK2 P24941 6/20 0.39
KDR P35968 4/20 0.39
EGFR P00533 2/20 0.39
BTK Q06187 1/20 0.39
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
ULK2 Q8IYT8 1/20 0.38
CHEK1 O14757 1/20 0.37
NTRK2 Q16620 1/20 0.37
CA2 P00918 1/20 0.37
ITK Q08881 1/20 0.36
CCNB1 P14635 4/20 0.36
CCNE1 P24864 3/20 0.36
CDK19 Q9BWU1 1/20 0.35
ALK Q9UM73 1/20 0.35
LRRK2 Q5S007 3/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34

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
SCHEMBL13901355 0.88 CDK2 (0.39) ULK1CDK1CDK2KDREGFR
SCHEMBL3865627 0.85 CDK1 (0.39) ULK1CDK1CDK2KDREGFR
SCHEMBL6451895 0.84 CDK2 (0.48) ULK1CDK1CDK2KDRPRKAA2
SCHEMBL6449199 0.83 ULK1 (0.36) ULK1CDK1CDK2KDREGFR
SCHEMBL13897479 0.82 PKM (0.38) ULK1CDK1CDK2KDREGFR
SCHEMBL13897532 0.81 CDK1 (0.35) ULK1CDK1CDK2KDREGFR
SCHEMBL13897842 0.81 TOP2A (0.39) ULK1CDK1CDK2KDREGFR
SCHEMBL3864684 0.80 CDK1 (0.41) ULK1CDK1CDK2KDREGFR
SCHEMBL13897482 0.78 SYK (0.49) CDK1CDK2KDREGFRBTK
SCHEMBL3864685 0.77 ULK1 (0.40) ULK1CDK1CDK2KDREGFR

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
EP-1565446-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-24 EP claimed
US-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-23 US claimed
WO-2004048343-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-10 WO claimed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
EP-1565446-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-24 EP disclosed
US-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-23 US disclosed
WO-2004048343-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-10 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 (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-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents DCK, PDPK1, DTYMK ULK1 62/4885CDK1 237/4885CDK2 105/4885

“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.