SCHEMBL7051831

SCHEMBL7051831

CCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 1.00
PDE4B Q07343 8/20 1.00
PDE4C Q08493 8/20 1.00
PDE4D Q08499 8/20 1.00
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 1/20 0.61
HPGD P15428 1/20 0.61
CNR2 P34972 1/20 0.59
USP2 O75604 1/20 0.58
RXFP1 Q9HBX9 1/20 0.57
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL7054219 0.94 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7056840 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7051846 0.90 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7051841 0.89 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7051824 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7056993 0.88 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DMEN1
Hydrochloric Acid SCHEMBL7058569 0.88 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7051840 0.87 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7050614 0.86 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7052437 0.85 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP claimed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
EP-1229034-B1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2005-04-13 EP disclosed
EP-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP disclosed
US-5891878-A Quinolones and their therapeutic use CHIROSCIENCE LIMITED (GB) 1999-04-06 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-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D PDE4A 1/4885PDE4B 2/4885PDE4C 5/4885

“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.