SCHEMBL4366172

SCHEMBL4366172

COc1ccc2c(=O)[nH]cnc2c1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.51
PDE4A P27815 11/20 0.43
PDE4D Q08499 10/20 0.43
PDE4C Q08493 9/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
PARP1 P09874 1/20 0.40
VEGFA P15692 1/20 0.38

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
SCHEMBL24392463 0.82 PARP1 (0.49) JAK2PARP1
SCHEMBL4365693 0.78 JAK2 (0.46) PDE4BPDE4APDE4DPDE4CJAK2
SCHEMBL4369695 0.74 PDE4B (0.67) PDE4BPDE4APDE4DPDE4C
SCHEMBL4371694 0.74 PDE4B (0.64) PDE4BPDE4APDE4DPDE4C
SCHEMBL6585673 0.73 PDE4B (0.48) PDE4BPDE4APDE4DPDE4C
SCHEMBL17142252 0.73 PARP1 (0.51) JAK2PARP1
SCHEMBL17142256 0.73 PARP1 (0.47) JAK2PARP1
SCHEMBL17142276 0.73 PARP1 (0.51) JAK2PARP1
Hydrochloric Acid SCHEMBL27987997 0.72 SRC (0.48) PDE4BPDE4APDE4DPDE4C
SCHEMBL4374264 0.72 CCR8 (0.44) PDE4BPDE4APDE4DPDE4CVEGFA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2009-11-26 US disclosed
WO-2008006052-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 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-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4A 1/4885PDE4D 4/4885

“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.