SCHEMBL6420002

SCHEMBL6420002

COc1ccc(C2=NN(C3CCN(Cc4cccnc4)CC3)C[C@@H]3CC=CC(=O)[C@H]23)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.51
PDE4B Q07343 7/20 0.51
PDE4A P27815 6/20 0.51
PDE4C Q08493 6/20 0.51
KDM4E B2RXH2 1/20 0.41
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL6416942 0.85 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CCCNT1
SCHEMBL7141481 0.79 PDE4B (0.51) PDE4DPDE4BPDE4APDE4C
SCHEMBL2887989 0.77 PDE4D (0.65) PDE4DPDE4BPDE4APDE4C
SCHEMBL7055996 0.77 PDE4D (0.65) PDE4DPDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL4018328 0.76 PDE4D (0.64) PDE4DPDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL6032043 0.74 PDE4D (0.55) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL5875517 0.71 PDE4D (0.61) PDE4DPDE4BPDE4APDE4C
SCHEMBL7138822 0.69 PDE4D (0.81) PDE4DPDE4BPDE4APDE4C
SCHEMBL7138827 0.69 PDE4D (0.81) PDE4DPDE4BPDE4APDE4C
SCHEMBL7138819 0.69 PDE4D (0.81) PDE4DPDE4BPDE4APDE4C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050112069-A1 Pharmaceutical composition of a pde4 or pde 3/4 inhibitor and histamine receptor antagonist NYCOMED GMBH (DE) 2005-05-26 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-20050112069-A1 Pharmaceutical composition of a pde4 or pde 3/4 inhibitor and histamine receptor antagonist HRH4, PDE4A, PDE4B PDE4D 9/4885PDE4B 3/4885PDE4A 2/4885

“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.