SCHEMBL3880478

SCHEMBL3880478

CC(C)c1nc(Nc2cccc([N+](=O)[O-])c2)nc(NCCCNC(=O)OCc2ccccc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
BLM P54132 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 2/20 0.39
RECQL P46063 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PPIA P62937 1/20 0.39
BRD4 O60885 2/20 0.38
PDE1C Q14123 1/20 0.38
PIN1 Q13526 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL13897741 0.83 SIRT5 (0.46) PPIACTSVCTSLAKR1C3AKR1C2
SCHEMBL3865708 0.81 SIRT5 (0.49) TBK1
SCHEMBL13897419 0.81 TBK1 (0.45) PPIATBK1
SCHEMBL13897705 0.78 SIRT5 (0.46) TBK1
SCHEMBL3863544 0.78 BRD4 (0.47) MAPTL3MBTL1BRD4SMN1; SMN2
SCHEMBL3880476 0.73 PPIA (0.39) MAPTPPIABRD4PDE1CALDH1A1
SCHEMBL6452492 0.68 TBK1 (0.45) BRD4TBK1
SCHEMBL28347032 0.68 SMN1; SMN2 (0.60) MAPTL3MBTL1PDE1CALDH1A1SMN1; SMN2
SCHEMBL13915753 0.68 ALDH1A1 (0.67) MAPTPPIAALDH1A1SMN1; SMN2RAB9A
SCHEMBL5151442 0.67 TBK1 (0.57) TBK1

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 MAPT 2578/4885BLM 1678/4885NPSR1 4781/4885

“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.