SCHEMBL5114521

SCHEMBL5114521

CC(C)C(NCC(C)(C)N)c1nc2cccnc2c(=O)n1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 4/20 0.38
PIK3CD O00329 1/20 0.37
POLB P06746 3/20 0.36
RAB9A P51151 1/20 0.36
PIK3C2A O00443 1/20 0.36
BRD4 O60885 3/20 0.36
ENPP2 Q13822 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.35

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
SCHEMBL5107354 0.81 KIF11 (0.35) KDM4EPOLBPIK3C2ABRD4MEN1
SCHEMBL4518988 0.81 KIF11 (0.51) POLBRAB9ACYP3A4CYP2C19PDE1C
SCHEMBL5555305 0.74 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL5106687 0.71 LMNA (0.50) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL5555016 0.71 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL5555670 0.68 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL5119002 0.68 AAK1 (0.36) KDM4EBRD4ALDH1A1
SCHEMBL5112019 0.68 KIF11 (0.43) KDM4EPOLBPIK3C2AMEN1KMT2A
SCHEMBL5119063 0.67 KIF11 (0.52) CYP3A4CYP2C19
SCHEMBL5570870 0.67 KIF11 (0.41) PDE4APDE4BPDE4CPDE4DTP53

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.