SCHEMBL5723057

SCHEMBL5723057

COc1ccc(C(=O)Cc2ccncc2)c2cc(-c3ccncc3)oc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.50
PDE4B Q07343 11/20 0.50
PDE4A P27815 9/20 0.50
PDE4C Q08493 9/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL5722718 0.95 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CCYP1A2
Hydrochloric Acid SCHEMBL5723070 0.94 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CCYP1A2
SCHEMBL5722913 0.85 PDE4D (0.55) PDE4DPDE4BPDE4APDE4C
SCHEMBL5723020 0.85 ADRA2A (0.49) PDE4DPDE4BPDE4APDE4CCYP1A2
SCHEMBL5722955 0.84 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CCYP3A4
Hydrochloric Acid SCHEMBL5723039 0.84 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CCYP3A4
SCHEMBL5722862 0.84 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CCYP3A4
SCHEMBL5722837 0.83 PDE4B (0.54) PDE4DPDE4BPDE4APDE4CCYP1A2
Hydrochloric Acid SCHEMBL5723167 0.83 CYP1A2 (0.53) PDE4DPDE4BPDE4APDE4CCYP1A2
Hydrochloric Acid SCHEMBL5723157 0.83 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 EP 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 PDE4D 4870/4885PDE4B 4877/4885PDE4A 4879/4885

“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.