SCHEMBL6475852

SCHEMBL6475852

NCc1ccc(-c2ccc(CNC(=O)c3scnc3Oc3ccc4c(c3)OCO4)c(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
AURKA O14965 1/20 0.39
HPGD P15428 3/20 0.39
FAAH O00519 1/20 0.39
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
CRHBP P24387 1/20 0.38
RECQL P46063 1/20 0.38
CRHR2 Q13324 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
MMP13 P45452 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6475844 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL6477125 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DAURKA
SCHEMBL6475748 0.84 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL6486741 0.82 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL6475248 0.82 HPGD (0.59) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL6486878 0.81 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL6476442 0.81 PKM (0.47) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL6482834 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL7226088 0.78 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL6474727 0.78 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355907-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP claimed
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-10-02 US claimed
US-20030130254-A1 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-07-10 US claimed
US-6559168-B2 3',5'-cyclic nucleotide phosphodiesterases (PDEs); disease related to eosinophils, such as asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-05-06 US claimed
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-09-05 US claimed
WO-2002060898-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO claimed
US-6894041-B2 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-05-17 US disclosed
US-6869945-B2 Pyrrolyl-and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-03-22 US disclosed
US-6559168-B2 3',5'-cyclic nucleotide phosphodiesterases (PDEs); disease related to eosinophils, such as asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-05-06 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 (3 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-20030130254-A1 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, NOX1, NOX3 PDE4A 4/4885PDE4B 7/4885PDE4C 23/4885
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, PDE4A PDE4A 3/4885PDE4B 6/4885PDE4C 22/4885
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE3B PDE4A 2/4885PDE4B 4/4885PDE4C 14/4885

“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.