SCHEMBL3865631

SCHEMBL3865631

C#CCOc1nc(Nc2cc(NCCO)cc(C(=O)O)c2C)ncc1Br

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.35
CDK2 P24941 4/20 0.35
KDR P35968 3/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
MAPK8 P45983 2/20 0.34
ULK1 O75385 3/20 0.32
LRRK2 Q5S007 5/20 0.32
EGFR P00533 3/20 0.32
ITK Q08881 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
ULK2 Q8IYT8 1/20 0.32
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.31
BTK Q06187 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL3867438 0.82 CDK1 (0.38) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3864685 0.81 ULK1 (0.40) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3867593 0.79 CDK1 (0.35) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3865627 0.79 CDK1 (0.39) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3873081 0.77 CDK2 (0.38) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3867551 0.76 CDK1 (0.45) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3867589 0.75 KDM4E (0.42) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3864684 0.71 CDK1 (0.41) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL6542666 0.70 PTK2 (0.44) CDK1CDK2CCNB1CCNE1MAPK8
SCHEMBL3874663 0.70 CDC25B (0.47) MAPK8

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
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 CDK1 237/4885CDK2 105/4885KDR 645/4885

“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.