SCHEMBL4364962

SCHEMBL4364962

COc1ccc2c(Nc3c(Cl)cncc3Cl)ncnc2c1OC1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 1.00
PDE4D Q08499 10/20 0.68
PDE4A P27815 9/20 0.68
PDE4C Q08493 9/20 0.68
EPHA2 P29317 1/20 0.46
KDR P35968 1/20 0.46
EPHB4 P54760 1/20 0.46
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
SRC P12931 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL4369697 0.91 PDE4B (0.83) PDE4BPDE4DPDE4APDE4CEPHA2
SCHEMBL13624574 0.84 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CEPHA2
SCHEMBL4365705 0.84 PDE4B (1.00) PDE4BPDE4DPDE4APDE4C
SCHEMBL6586279 0.81 PDE4B (1.00) PDE4BPDE4DPDE4APDE4C
SCHEMBL4361797 0.81 PDE4B (0.74) PDE4BPDE4DPDE4APDE4C
SCHEMBL14311705 0.80 PDE4B (0.72) PDE4BPDE4DPDE4APDE4C
SCHEMBL4361769 0.80 PDE4B (0.72) PDE4BPDE4DPDE4APDE4C
SCHEMBL4366173 0.80 PDE4B (0.67) PDE4BPDE4DPDE4APDE4C
SCHEMBL4361746 0.79 PDE4B (0.71) PDE4BPDE4DPDE4APDE4C
SCHEMBL4371694 0.79 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CEPHA2

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-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2009-11-26 US disclosed
US-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2009-11-26 US disclosed
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 2/4885PDE4D 4/4885PDE4A 1/4885

“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.