SCHEMBL6476121

SCHEMBL6476121

CC(Oc1ccc(CNC(=O)c2scnc2Oc2cccc(C#N)c2)c(F)c1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
CHRM4 P08173 2/20 0.38
AR P10275 2/20 0.37
MAOB P27338 1/20 0.37
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36
VNN1 O95497 1/20 0.35
HSD17B13 Q7Z5P4 2/20 0.35
ACACA Q13085 1/20 0.35
ALOX5 P09917 2/20 0.35
SCN9A Q15858 2/20 0.35
FPR2 P25090 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL5381658 0.85 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DCARM1
SCHEMBL5381681 0.85 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DCARM1
SCHEMBL6475411 0.85 AR (0.37) CHRM4ARVNN1HSD17B13SMN1; SMN2
SCHEMBL6474340 0.83 AR (0.39) PDE4APDE4BPDE4CPDE4DCHRM4
SCHEMBL6484313 0.82 SRD5A2 (0.38) ARVNN1HSD17B13SMN1; SMN2
SCHEMBL6500806 0.81 PTGER4 (0.42) ARPTGER4PTGER2VNN1HSD17B13
SCHEMBL6482198 0.79 HPGD (0.43) SCN9ASMN1; SMN2
SCHEMBL6475924 0.78 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DCARM1
SCHEMBL5388428 0.78 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DCARM1
SCHEMBL5397426 0.78 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DCARM1

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.