SCHEMBL6489508

SCHEMBL6489508

COC(=O)c1cccc(-c2ccc(CN3C(=O)c4ccccc4C3=O)c(F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
BDKRB1 P46663 8/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
DHODH Q02127 1/20 0.48
PDK2 Q15119 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ERN1 O75460 1/20 0.47
CHRM5 P08912 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL6478795 0.84 MAPK1 (0.58) MAPK1HSD17B10MEN1KMT2ARXFP1
SCHEMBL2570214 0.80 CHRM5 (0.56) CHRM5
SCHEMBL6480284 0.80 ERN1 (0.56) BDKRB1PDK2NPC1RAB9AERN1
SCHEMBL6479787 0.78 ERN1 (0.55) BDKRB1PDK2NPC1RAB9AERN1
SCHEMBL1164954 0.77 KMT2A (0.70) L3MBTL1MAPK1HSD17B10MEN1KMT2A
SCHEMBL31753576 0.77 KMT2A (0.70) L3MBTL1MAPK1HSD17B10MEN1KMT2A
SCHEMBL7654082 0.76 MEN1 (0.56) LMNATSHRL3MBTL1MAPK1HSD17B10
SCHEMBL26965138 0.75 TSHR (0.53) LMNATSHRL3MBTL1MAPK1HSD17B10
SCHEMBL7824107 0.74 RAB9A (0.68) TSHRL3MBTL1PDK2NPC1RAB9A
SCHEMBL11815790 0.72 LMNA (0.44) LMNATSHRL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953810-B2 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-10-11 US disclosed
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2004-03-11 US disclosed
US-6649633-B2 For treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-11-18 US disclosed
EP-1355884-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP disclosed
US-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-12-19 US disclosed
WO-2002060875-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 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 (2 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-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 LMNA 1376/4885TSHR 1757/4885L3MBTL1 2571/4885
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 LMNA 1245/4885TSHR 1950/4885L3MBTL1 2567/4885

“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.