SCHEMBL73387

SCHEMBL73387

COc1ccc(C#N)c2c1oc1cncnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
IMPDH2 P12268 2/20 0.36
IMPDH1 P20839 1/20 0.36
USP2 O75604 1/20 0.36
HPGDS O60760 1/20 0.34
VNN1 O95497 1/20 0.34
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
MAPT P10636 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SLC6A3 Q01959 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
SRC P12931 1/20 0.32
MGAM O43451 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL73148 0.80 MAPT (0.38) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL7703616 0.80 PDE4A (0.34) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL75224 0.76 PDE4A (0.43) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL15660591 0.75 IMPDH2 (0.51) KDM4EALDH1A1IMPDH2IMPDH1USP2
SCHEMBL72743 0.71 MAOA (0.49) KDM4EALDH1A1MAPTMAOAEGFR
SCHEMBL2560611 0.69 PDE4A (0.42) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL74891 0.68 PDE4D (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL20837396 0.63 ALDH1A1 (0.44) KDM4EALDH1A1IMPDH2IMPDH1USP2
SCHEMBL22439194 0.62 ALDH1A1 (0.42) KDM4EALDH1A1IMPDH2IMPDH1USP2
SCHEMBL7650714 0.62 NPC1 (0.42) ALDH1A1HPGDSMAOAEGFRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP claimed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 US claimed
EP-1831227-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS Glenmark Pharmaceuticals S.A. (CH) 2007-09-12 EP claimed
WO-2006064355-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS S.A. (US) 2006-06-22 WO claimed
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP disclosed
US-8129401-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2012-03-06 US disclosed
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2011-08-04 US disclosed
US-7943634-B2 Substituted benzo[4,5]furo[3,2-c]pyridine derivatives as PDE 4 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2011-05-17 US disclosed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 US disclosed
EP-1831227-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS Glenmark Pharmaceuticals S.A. (CH) 2007-09-12 EP disclosed
WO-2006064355-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS S.A. (US) 2006-06-22 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-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A KDM4E 2531/4885ALDH1A1 1591/4885IMPDH2 1369/4885
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A KDM4E 2674/4885ALDH1A1 1267/4885IMPDH2 1321/4885

“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.