SCHEMBL3867589

SCHEMBL3867589

C#CCOc1nc(Nc2cccc(C(=O)OC)c2NCCO)ncc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
ULK1 O75385 3/20 0.40
EGFR P00533 3/20 0.36
SIRT5 Q9NXA8 2/20 0.36
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
ULK2 Q8IYT8 1/20 0.35
LRRK2 Q5S007 3/20 0.35
CDK1 P06493 2/20 0.35
CDK2 P24941 2/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK8 P45983 3/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
ADORA2A P29274 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
SCHEMBL6542666 0.86 PTK2 (0.44) KDM4EULK1PRKAA2PRKAA1ULK2
SCHEMBL3874663 0.78 CDC25B (0.47) KDM4ESIRT5MAPK8
SCHEMBL3867593 0.78 CDK1 (0.35) KDM4EULK1EGFRSIRT5PRKAA2
SCHEMBL3865627 0.77 CDK1 (0.39) ULK1EGFRPRKAA2PRKAA1ULK2
SCHEMBL3867551 0.76 CDK1 (0.45) ULK1EGFRPRKAA1CDK1CDK2
SCHEMBL3865631 0.75 CDK1 (0.35) ULK1EGFRPRKAA2PRKAA1ULK2
SCHEMBL13897538 0.74 ULK1 (0.40) ULK1EGFRPRKAA2PRKAA1ULK2
SCHEMBL6451895 0.74 CDK2 (0.48) KDM4EULK1PRKAA2PRKAA1ULK2
SCHEMBL3865240 0.73 IGF1R (0.43) ULK1LRRK2CDK1CDK2CCNB1
SCHEMBL3867438 0.71 CDK1 (0.38) ULK1EGFRPRKAA2PRKAA1ULK2

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 KDM4E 1694/4885GLA 2937/4885ULK1 62/4885

“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.