SCHEMBL5111971

SCHEMBL5111971

CC(C)Cc1nc2ccncc2c(=O)n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAD1 O60671 1/20 0.45
CFTR P13569 1/20 0.45
APEX1 P27695 1/20 0.45
CASP6 P55212 1/20 0.45
RAD51 Q06609 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
GOPC Q9HD26 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BRD4 O60885 2/20 0.44

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
SCHEMBL4314434 0.92 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5106062 0.86 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5563021 0.84 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4091105 0.81 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5105792 0.81 CYP1A2 (0.50) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5489358 0.81 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5647619 0.80 TDP1 (0.55) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5108726 0.80 MEN1 (0.46) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL14367275 0.79 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5118303 0.79 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DKMT2A

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-7332498-B2 Modulation of KSP kinesin activity with heterocyclic-fused pyrimidinone derivatives CYTOKINETICS, INC. (US) 2008-02-19 US disclosed
US-20060111374-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-25 US disclosed
US-7038048-B2 3H-pyridopyrimidin-4-one compounds, compositions, and methods of their use CYTOKINETICS, INC. (US) 2006-05-02 US disclosed
US-20040116438-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2004-06-17 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-20060111374-A1 Compounds, compositions, and methods ALPP, MKI67, PCNA PDE4A 2750/4885PDE4B 2893/4885PDE4C 2531/4885

“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.