SCHEMBL6479787

SCHEMBL6479787

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ROCK2 O75116 6/20 0.54
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
PGGT1B P53609 1/20 0.49
PLAU P00749 2/20 0.47
PDK2 Q15119 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BDKRB1 P46663 1/20 0.46
PLAT P00750 1/20 0.46
IL2 P60568 1/20 0.46

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
SCHEMBL6480284 0.88 ERN1 (0.56) ERN1LOXL2CA12CA9CA1
SCHEMBL1495847 0.84 LOXL2 (0.54) LOXL2CA12CA9CA1CA2
Hydrochloric Acid SCHEMBL12499887 0.83 LOXL2 (0.53) LOXL2CA12CA9CA1CA2
SCHEMBL2569067 0.81 LOXL2 (0.71) ERN1LOXL2CA12CA9CA1
SCHEMBL2940473 0.79 BDKRB1 (0.72) BDKRB1
SCHEMBL67941 0.79 CA12 (0.68) ERN1LOXL2CA12CA9CA1
SCHEMBL27405638 0.79 LOXL2 (0.82) ERN1LOXL2CA12CA9CA1
SCHEMBL6489508 0.78 LMNA (0.54) ERN1PDK2NPC1RAB9ABDKRB1
SCHEMBL7816934 0.78 CA12 (0.64) ERN1CA12CA9CA1CA2
Hydrochloric Acid SCHEMBL5923244 0.78 BDKRB1 (0.71) BDKRB1

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 ERN1 879/4885LOXL2 1496/4885CA12 4115/4885
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 ERN1 877/4885LOXL2 1515/4885CA12 4278/4885

“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.