SCHEMBL4365693

SCHEMBL4365693

COc1ccc2c(=O)[nH]ccc2c1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
PDE4B Q07343 13/20 0.44
PDE4A P27815 10/20 0.43
ROCK1 Q13464 4/20 0.43
PDE4C Q08493 8/20 0.42
PDE4D Q08499 8/20 0.42
ROCK2 O75116 1/20 0.40
PRKACA P17612 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40
Q6ZSR9 Q6ZSR9 1/20 0.40
BMP2K Q9NSY1 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
VEGFA P15692 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL1536474 0.81 CYP19A1 (0.44) ALDH1A1LMNACYP1A2CYP3A4MAPT
SCHEMBL4374264 0.80 CCR8 (0.44) PDE4BPDE4APDE4CPDE4DVEGFA
SCHEMBL6585673 0.79 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4366172 0.78 PDE4B (0.51) JAK2JAK1PDE4BPDE4APDE4C
SCHEMBL8939202 0.78 JAK2 (0.48) JAK2JAK1ROCK1ROCK2PRKACA
SCHEMBL8938555 0.74 ROCK1 (0.58) PDE4BPDE4AROCK1PDE4CPDE4D
SCHEMBL1536415 0.71 SIRT2 (0.44) ALDH1A1LMNACYP1A2CYP3A4MAPT
SCHEMBL4365083 0.70 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL1536509 0.70 PARP1 (0.40) PDE4BPDE4AROCK1PDE4CPDE4D
SCHEMBL4369467 0.69 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DALDH1A1

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 JAK2 1713/4885JAK1 2647/4885PDE4B 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.