SCHEMBL987058

SCHEMBL987058

COc1ccc(NC(=O)c2ccncc2)cc1OC1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
PDE4D Q08499 11/20 0.65
PDE4A P27815 9/20 0.65
PDE4B Q07343 7/20 0.65
PDE4C Q08493 7/20 0.65
PDE5A O76074 1/20 0.63
PDE1A P54750 1/20 0.63
PDE1B Q01064 1/20 0.63
PDE1C Q14123 1/20 0.63
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.55
NAMPT P43490 1/20 0.54

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
SCHEMBL7332928 0.88 PDE4D (0.79) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7423277 0.88 PDE4D (0.78) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL8197050 0.88 PDE4D (0.82) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL985987 0.87 PDE4D (0.63) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL8188616 0.82 PDE4D (0.63) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL7688579 0.82 POLB (0.57) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL8185285 0.82 SMN1; SMN2 (0.74) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL7421935 0.81 PDE4D (0.67) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL7322708 0.81 PDE4B (0.60) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL72993 0.81 PDE4B (0.60) PDE4DPDE4APDE4BPDE4C

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5550137-A Phenylaminocarbonyl derivatives CELLTECH THERAPEUTICS LIMITED (GB) 1996-08-27 US claimed
EP-0607373-A1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS. CELLTECH LTD (GB) 1994-07-27 EP claimed
WO-1993025517-A1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS CELLTECH LIMITED (GB) 1993-12-23 WO claimed
EP-2247294-B1 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION BASILEA PHARMACEUTICA AG (CH) 2014-03-26 EP disclosed
EP-2049556-B1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISEASES BASILEA PHARMACEUTICA AG (CH) 2013-07-03 EP disclosed
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 US disclosed
US-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 US disclosed
US-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 US disclosed
US-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 US disclosed
WO-2009106419-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2009-09-03 WO disclosed
EP-2049556-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES Basilea Pharmaceutica AG (CH) 2009-04-22 EP disclosed
WO-2008017696-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES BASILEA PHARMACEUTICA AG (CH) 2008-02-14 WO disclosed
US-6096747-A Phenylaminocarbonyl derivatives and processes for their preparation CELLTECH THERAPEUTICS LIMITED (GB) 2000-08-01 US disclosed
EP-0607373-B1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-03-19 EP disclosed
US-5550137-A Phenylaminocarbonyl derivatives CELLTECH THERAPEUTICS LIMITED (GB) 1996-08-27 US disclosed
WO-1995001335-A1 NOVEL SPIROCYCLES MERCK & CO., INC. (US) 1995-01-12 WO disclosed
EP-0607373-A1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS. CELLTECH LTD (GB) 1994-07-27 EP disclosed
WO-1993025517-A1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS CELLTECH LIMITED (GB) 1993-12-23 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 (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-20110053876-A1 MACROLIDES AND THEIR USE PDE4A, PDE12, PDE4B POLB 2032/4885PDE4D 6/4885PDE4A 1/4885

“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.